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pony3598木虫 (正式写手)
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[求助]
求助微谱数据一个
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13C-NMR 177.1季碳 152.7季碳 139.2 CH 135.9 季碳 134.5 季碳 121.1 CH 119.9 季碳 114.8 CH 108.5 CH 60.6 Me 求助微谱数据，应该是个很常见的东西，从未碰到过，无从下手，谢谢帮助啊 [ Last edited by pony3598 on 2012-4-22 at 15:20 ] |
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kaola0916
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pony3598: 金币+10, ★★★★★最佳答案 2012-05-06 14:59:42
pony3598: 金币+10, ★★★★★最佳答案 2012-05-06 14:59:42
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查询结果：共查到93个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . compound A 相似度:100% Natural Product Research 1997 11 5-11 A Novel Cinnamide Dimer from the Indian Ocean Soft Coral Sinularia flexibilis Ammanamanchi S. R. Anjaneyulu; Kadali S. Sagar; Nidasanametla S. K. Rao Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . 7-hydroxy-8-methoxy-2,3-dihydroquinolin-4(1H)-one C10H9NO3 相似度:81.8% Acta Scientiarum Naturalium Universitatis Sunyatseni 1984 23(4) 85-92 Studies on the Chemical Constituents of the Chinese Soft Corals Collected from the South China Sea(X)—Chemical Structure and Physiological Activity of A New Quinolone Derivative Long Kanghou Ju Zhaonian Lin Yongcheng Xu Shibo Xie Qixuan Xie Ruiwen Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . compound 10 相似度:63.6% Journal of the Chemical Society, Perkin Transactions 1 1984 2523-2528 A kinetic template effect in the metal ion-catalysed reactions of o-bromodiarylazo compounds with tertiary phosphines. 13C n.m.r. and X-ray structural studies of o-phosphoniodiarylazo derivatives. David W. Allen, Ian W. Nowell, Lorraine A. March and Brian F. Taylor Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . 3,5-dihydroxyestragole C10H22O3 相似度:60% Chemical & Pharmaceutical Bulletin 1998 46 1587-1590 Water-Soluble Constituents of Fennel. V. Glycosides of Aromatic Compounds Junichi KITAJIMA,Toru ISHIKAWA,Yasuko TANAKA,Masateru ONO,Yasuyuki ITO and Toshihiro NOHARA Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . 2,3,14,15-dibenzo-4,7,10,13,19-pentaoxa-17,18-diazabicyclo[14.2.1]nonadeca-16,18-diene C20H20N2O5 相似度:60% Journal of Heterocyclic Chemistry 2010 47 555-557 Synthesis of crown compounds containing a 1,3,4-oxadiazole moiety: Microwave-assisted synthesis Moha Outirite, Mounim Lebrini, Michel Lagrenée and Fouad Bentiss Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . 5-Amino-3,3,4-tricyano-2,3-dihydropyrazole-1-carbothioic acid allylamide C10H9N7S 相似度:60% Zeitschrift für Naturforschung B 2004 59 910-916 Ethenetetracarbonitrile and Heterocyclization of Symmetrical Dithiobiurea as well as Thioureidoethylthiourea Derivatives A. A. Hassan, A.-F. E. Mourad, K. M. El-Shaieb, and A. H. Abou-Zied Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . 3-([E)-2-nitroethenyl]-6-bromoindole C10H7BrN2O2 相似度:60% Tetrahedron 1999 55 935-942 Synthesis of didemnolines A-D, N9-substituted β-carboline alkaloids from the marine ascidian Didemnum sp. Robert W Schumacher, Bradley S Davidson Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . 5-[3-azido-5-(azidomethyl)phenyl]-2-furaldehyde C12H8N6O2 相似度:58.3% Bioorganic & Medicinal Chemistry 2009 17 2490-2496 Facile synthesis of diazido-functionalized biaryl compounds as radioisotope-free photoaffinity probes by Suzuki–Miyaura coupling Takamitsu Hosoya, Atsushi Inoue, Toshiyuki Hiramatsu, Hiroshi Aoyama, Takaaki Ikemoto, Masaaki Suzuki Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . Indazol-1-yl-acetic acid ethyl ester C11H12N2O2 相似度:54.5% Molecules 2006 11 867-889 Synthesis and Structural Characterization of 1- and 2-Substituted Indazoles: Ester and Carboxylic Acid Derivatives Fátima C. Teixeira, Hélène Ramos, Inês F. Antunes, M. J. Curto, M. T. Duarte and Isabel Bento Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . [(4-Methoxyphenyl)hydrazono]pyridine-2-yl-acetonitrile C14H12N4O 相似度:54.5% Molecules 2009 14 4406-4413 Studies with Azinylacetonitriles: 2-Pyridylacetonitrile as a Precursor to Functionally Substituted Pyridines Mariam A. Al-Sheikh and Mohamed H. Elnagdi Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 11 . 8-chloro-nor-harmane 相似度:54.5% Journal of Heterocyclic Chemistry 2003 40 419-426 Synthesis and isolation of chloro-β-carbolines obtained by chlorination of β-carboline alkaloids in solution and in solid state Maria A. Ponce,Olga I. Tarzi and Rosa Erra-Balsells Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 12 . 2,3,20,21-dibenzo-4,7,10,13,16,19,25-heptaoxa-23,24-diazabicyclo[20.2.1]pentacosa-22,24-diene C24H28N2O7 相似度:54.5% Journal of Heterocyclic Chemistry 2010 47 555-557 Synthesis of crown compounds containing a 1,3,4-oxadiazole moiety: Microwave-assisted synthesis Moha Outirite, Mounim Lebrini, Michel Lagrenée and Fouad Bentiss Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 13 . 3-isopropoxy-2-methoxy-6-methylbenzonitrile C12H15NO2 相似度:54.5% Heterocycles 2010 81 2581-2592 Total Synthesis of (S)-(-)-Stepholidine Using (S)-tert-Butanesulfinylimine Jianjun Cheng, Liqiang Fu, Chenyu Ling, and Yushe Yang Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 14 . compound 1 相似度:54.5% Organic Magnetic Resonance 1984 22 471-473 A 13C NMR study of β-carboline alkaloids Kazuo Koike, Yohko Sakamoto and Taichi Ohmoto Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 15 . 4-Chloro-2',3'-dimethoxybenzophenone 相似度:53.8% Tetrahedron 2012 68 1436-1442 Facile preparation of aromatic ketones from aromatic bromides and arenes with aldehydes Sousuke Ushijima, Souya Dohi, Katsuhiko Moriyama, Hideo Togo Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 16 . compound 5 相似度:50% Journal of Natural Products 1996 59 1102-1103 New Brominated Diphenyl Ether from an Unidentified Species of Dysidea Sponge. 13C NMR Data for Some Brominated Diphenyl Ethers Xiong Fu and Francis J. Schmitz Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 17 . 3-Indazol-1-yl-propionic acid ethyl ester C12H14N2O2 相似度:50% Molecules 2006 11 867-889 Synthesis and Structural Characterization of 1- and 2-Substituted Indazoles: Ester and Carboxylic Acid Derivatives Fátima C. Teixeira, Hélène Ramos, Inês F. Antunes, M. J. Curto, M. T. Duarte and Isabel Bento Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 18 . 5-(Morpholin-4-ylmethyl)-quinolin-8-ol C14H16N2O2 相似度:50% Molecules 2008 13 922-930 Selective Dendritic Fluorescent Sensors for Zn(II) Feng Wang, Ruogu Peng and Yaowu Sha Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 19 . 5-(Piperazin-1-ylmethyl)-quinolin-8-ol C14H17N3O 相似度:50% Molecules 2008 13 922-930 Selective Dendritic Fluorescent Sensors for Zn(II) Feng Wang, Ruogu Peng and Yaowu Sha Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 20 . apiole 相似度:50% Phytochemistry 1998 49 1381-1384 Phenylalkanoids from piper Marginatum Bárbara Viviana de O Santos, Emidio V.L.da-Cunha Maria Célia de O Chaves, Alexander I Gray Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 21 . 2-(2'-bromophenoxy)3,4,5,6-tetrabromophenol C12H5Br5O2 相似度:50% Journal of Natural Products 1990 Vol 53 757 A New Brominated Diphenyl Ether from a Philippine Dysidea Species Javler Salvá, D. John Faulkner Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 22 . 3,4,5-tribromo-2(2',4'-dibromophenoxy)phenol 相似度:50% Journal of Natural Products 1995 Vol 58 1384 Enzyme Inhibitors: New and Known Polybrominated Phenols and Diphenyl Ethers from Four Indo-Pacific Dysidea Sponges Xiong Fu, Francis J. Schmitz, Meledath Govindan, Sayed A. Abbas, Kerry M. Hanson, Paul A. Horton, Phil Crews, Maureen Laney, Randall C. Schatzman Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 23 . Schinicoumarin C12H12O5 相似度:50% Phytochemistry 1995 39 1091-1097 Coumarins and anti-platelet aggregation constituents from Zanthoxylum schinifolium Ih-Sheng Chen, Yuh-Chwen Lin, Ian-Lih Tsai, Che-Ming Teng, Feng-Nien Ko, Tsutomu Ishikawa, Hisashi Ishii Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 24 . Benzocamphorin E C18H18O8 相似度:50% Bioorganic & Medicinal Chemistry 2011 19 677-683 Biologically active constituents from the fruiting body of Taiwanofungus camphoratus Li-Shian Shi, Chih-Hua Chao, De-Yang Shen, Hsiu-Hui Chan, Chou-Hsiung Chen,Yu-Ren Liao, Shwu-Jen Wu, Yann-Lii Leu, Yuh-Chiang Shen, Yao-Haur Kuo, E-Jian Lee,Keduo Qian, Tian-Shung Wu, Kuo-Hsiung Lee Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 25 . 3-[(Imidazolidin-2-yl)imino]-6-methylindazole C11H13N5 相似度:50% Bioorganic & Medicinal Chemistry 2011 19 321-329 3-[(Imidazolidin-2-yl)imino]indazole ligands with selectivity for the a2-adrenoceptor compared to the imidazoline I1 receptor Franciszek Sączewski, Anita Kornicka, Alan L. Hudson, Shayna Laird, Mika Scheinin,Jonne M. Laurila, Apolonia Rybczyńska, Konrad Boblewski, Artur Lehmann, Maria Gdaniec Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 26 . 5(4'-Methoxyphenyl)-pyrazolidine-3,3,4,4-tetracarbonitrile C14H10N6O 相似度:50% Canadian Journal of Chemistry 2005 83 57-62 New cycloaddition of diarylazines with 1,2-dehydrobenzene, 1,1,2,2-tetracyanoethylene, and dibenzoylacetylene-Facile synthesis of acridinones, pyrazolidine, and pyridazine derivatives Ashraf A. Aly and Mohsen A.-M. Gomaa Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 27 . (E)-4-methyl-1-(5-methylfuran-2-yl)pent-2-en-1-one C10H14O2 相似度:50% Archives of Pharmacal Research 2011 Vol 34, No 8 1277-1282 Biological Evaluation of Isoegomaketone Isolated from Perilla frutescens and its Synthetic Derivatives as Anti-inflammatory Agents Yong Dae Park, Chang Hyun Jin, Dae Seong Choi, Myung-Woo Byun, and Il Yun Jeong Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 28 . 8-Chloroquinolin-4(1H)-one C9H6NOCl 相似度:50% Tetrahedron Letters 2012 53 859-862 A novel ionic liquid mediated synthesis of 4(1H)-quinolones,5H-thiazolo [3,2-a]pyrimidin-5-one and 4H-pyrimido[2,1-b]benzothiazol-4-ones Ashok K. Yadav,Gopi Ram Sharma,Pankaj Dhakad,Tripti Yadav Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 29 . 6,8-Dichloroquinolin-4(1H)-one C9H5Cl2NO 相似度:50% Tetrahedron Letters 2012 53 859-862 A novel ionic liquid mediated synthesis of 4(1H)-quinolones,5H-thiazolo [3,2-a]pyrimidin-5-one and 4H-pyrimido[2,1-b]benzothiazol-4-ones Ashok K. Yadav,Gopi Ram Sharma,Pankaj Dhakad,Tripti Yadav Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 30 . Compound 3 相似度:50% Marine drugs 2005 3 9-14 Marine Sponge Dysidea herbacea revisited: Another Brominated Diphenyl Ether Madhavi S. Agrawal and Bruce F. Bowden Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 31 . N-(8-quinolyl)-N'-(5-tropolonyl)urea C17H13N3O3 相似度:50% Chemical & Pharmaceutical Bulletin 2010 58 82-86 Novel Synthesis of Ureas: Application of t-Butylureas Ai Ito, Hideaki Muratake and Koichi Shudo Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 32 . compound 5 C20H12O2S 相似度:50% Tetrahedron Letters 2000 41 10277-10280 First synthesis of dioxadithiaporphycene with a benzene ring fused onto the double bond Wei-Min Dai, Wing Leung Mak Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 33 . 3,4'-dihydroxy-2,3'-bipyridine C10H8N2O2 相似度:50% Phytochemistry 1990 29 3993-3995 Structure revision of a minor alkaloid from Broussonetia zeylanica Eckehard V. Dehmlow,Arthur Sleegers,Nikolaus Risch,Wolfram Trowitzsch-Kienast,Victor Wray,A.A.Leslie Gunatilaka Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 34 . 2-(4-methylphenyl)-5-nitrobenzimidazole C14H11N3O2 相似度:50% Journal of Heterocyclic Chemistry 2009 46 74-78 Solvent-free chemoselective synthesis of some novel substituted 2-arylbenzimidazoles using amino acid-based prolinium nitrate ionic liquid as catalyst Shahnaz Rostamizadeh,Reza Aryan,Hamid Reza Ghaieni and Ali Mohammad Amani Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 35 . 2,2'-dimethoxy-10,10'-biacridinyl-9,9'-dione C28H20N2O4 相似度:50% Journal of Heterocyclic Chemistry 2008 45 67-70 Oxidative coupling of acridinones: Synthesis of new C2-symmetry atropisomers Karine Scarpellini-Charras,Gérard Boyer,Nathalie Filloux and Jean-Pierre Galy Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 36 . (E)-3-Dimethylamino-1-(pyrrol-2-yl)-2-propen-1-one C9H12N2O 相似度:50% Journal of Heterocyclic Chemistry 2008 45 879-885 Reaction of β-dimethylaminovinyl ketones with hydroxylamine: A simple and useful method for synthesis of 3-and 5-substituted isoxazoles Fernanda A. Rosa,Pablo Machado,Helio G. Bonacorso,Nilo Zanatta and Marcos A. P. Martins Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 37 . 3,7-bis(4-chlorophenyl)-5-phenyl-5,6-dihydro-4H-1,2,5-tri-azepine C22H17Cl2N3 相似度:50% Journal of Heterocyclic Chemistry 2007 44 133-136 Synthesis of novel 3,5,7-triaryl-5,6-dihydro-4h-1,2,5-triazepines Gurusamy Ravindran,Shanmugam Muthusubramanian,Sanguvan Selvaraj and Subbu Perumal Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 38 . 2H-[1,4]benzoxazine-2,3(4H)-dione 3-oxime C8H6N2O3 相似度:50% Journal of Heterocyclic Chemistry 2006 43 579-583 Synthesis of oxadiazoloquinoxaline,oxathiadiazoloquinoxaline and oxadiazolobenzothiazine derivatives Konstantina C. Fylaktakidou,Konstantinos E. Litinas,Athanasios Saragliadis,Spyros G. Adamopoulos and Demetrios N. Nicolaides Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 39 . 2-(3-tert-butyl-3-butenyloxy)-1-nitrobenzene C14H19NO3 相似度:50% Journal of Heterocyclic Chemistry 2004 41 963-970 Tetrahydro-1,5-benzoxazepines and tetrahydro-1H-1,5-benzodiazepines by a tandem reduction-reductive amination reaction Richard A. Bunce,Christopher L. Smith and Jason R. Lewis Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 40 . 3-(2-nitrophenoxy)-propanal C9H9NO4 相似度:50% Journal of Heterocyclic Chemistry 2004 41 963-970 Tetrahydro-1,5-benzoxazepines and tetrahydro-1H-1,5-benzodiazepines by a tandem reduction-reductive amination reaction Richard A. Bunce,Christopher L. Smith and Jason R. Lewis Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 41 . 4-(2-nitrophenoxy)-2-butanone C10H11NO4 相似度:50% Journal of Heterocyclic Chemistry 2004 41 963-970 Tetrahydro-1,5-benzoxazepines and tetrahydro-1H-1,5-benzodiazepines by a tandem reduction-reductive amination reaction Richard A. Bunce,Christopher L. Smith and Jason R. Lewis Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 42 . compound 4d C13H15NO 相似度:50% Journal of Heterocyclic Chemistry 2000 37 15-24 Synthesis and nuclear magnetic resonance spectroscopic studies of 1-arylpyrroles Chang Kiu Lee, Jung Ho Jun and Ji Sook Yu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 43 . 1-[(5-carboxamido)-1,2,3-triazol-4-yl]benzimidazolone C10H8N6O2 相似度:50% Journal of Heterocyclic Chemistry 2000 37 1169-1176 1-(1,2,3-triazol-4-yl)-benzimidazolones, a new series of heterocyclic derivatives Lucia Bertelli, Giuliana Biagi, Vincenzo Calderone, Irene Giorgi, Oreste Livi, Valerio Scartoni and Pier Luigi Barili Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 44 . 1-[(5-carboxy)-1,2,3-triazol-4-yl]benzimidazolone C10H7N5O3 相似度:50% Journal of Heterocyclic Chemistry 2000 37 1169-1176 1-(1,2,3-triazol-4-yl)-benzimidazolones, a new series of heterocyclic derivatives Lucia Bertelli, Giuliana Biagi, Vincenzo Calderone, Irene Giorgi, Oreste Livi, Valerio Scartoni and Pier Luigi Barili Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 45 . compound 2b C12H9NO2S 相似度:50% Indian Journal of Chemistry 2008 47B 1438-1442 Synthesis and antibacterial activity of 6-(5-phenyl-[1,3,4]thiadiazol-2-ylamino)-benzopyran-2-ones Mayekar,Sagar A; Mulwad,Vinata V Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 46 . 2-(3-nitrophenyl)-1H-benzimidazole 相似度:50% Indian Journal of Chemistry 2007 46B 349-351 TiCl₄ Promoted synthesis of benzimidazole derivatives Nagawade,Rahul R; Shinde,Devanand B Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 47 . 6-iodo-N-phenylbenzo[d]thiazol-2-amine C13H9IN2S 相似度:50% Heterocycles 2010 81 2841-2847 Iron-Catalyzed One-Pot Synthesis of 2-Aminobenzothiazoles from 2-Aminobenzenethiols and Isothiocyanates under Ligand-Free Conditions in Water Wenying Wang, Wenying Zhong, Runxia Zhou, Jinsheng Yu, Juan Dai, Qiuping Ding, and Yiyuan Peng Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 48 . 7-chloro-1,4-dihydro-1,8-naphthyridin-4-one C8H5ClN2O 相似度:50% Heterocycles 2009 78 2477-2488 Synthesis of Halogenated 4H-Pyrido[1,2-a]pyrimidin-4-ones Annamária Molnár, Ferenc Faigl, Benjamin Podányi, Zoltán Finta, László Balázs, and István Hermecz Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 49 . (S)-6,6'-dihydroxymethyl-2,2',3,3',4,4'-hexamethoxy-1,1'-biphenyl C20H26O8 相似度:50% Heterocycles 2008 76 291-303 Synthesis of Highly Oxygenated Biphenyl Derivative in an Optically Active Form through Palladium-Mediated Intramolecular Biaryl Coupling Reaction Hitoshi Abe, Masatsugu Arai, Keisuke Nishioka, Tatsuya Kida, Kazuma Shioe, Yasuo Takeuchi, and Takashi Harayama Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 50 . compound 19 C14H18N2O2 相似度:50% Heterocycles 2006 70 51-56 Convenient Synthesis of Masked Aminoindoles by Indium Mediated Ont-Pot Reductive Acylation of 3- and 2-Nitroindoles Sujata Roy and Gordon W. Gribble* Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 51 . compound 12a 相似度:50% Heterocycles 2004 62 757-772 Reactions of 2-, 3-, and 4-Quinolinols with Cyclohexane and Benzene in Superacids Konstantin Yu. Koltunov, G. K. Surya Prakash,* Golam Rasul, and George A. Olah* Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 52 . 2,5-diamino-N2-(t-butoxycarbonyl)-N5-(ethoxycarbonyl)benzoxazole C15H19N3O5 相似度:50% Heterocycles 2003 60 2023-2044 Approach to the Synthesis of (+)-Ifforestine. Model Studies Directed at the Tetracyclic Framework Gregory H. P. Roos* and Kim A. Dastlik Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 53 . 2,3-Dibromo-4,5-dimethoxy-1-(methoxymethyl)benzene 相似度:50% Helvetica Chimica Acta 2010 93 1127-1135 Total Synthesis of the Biologically Active, Naturally Occurring 3,4-Dibromo-5-[2-bromo-3,4-dihydroxy-6-(methoxymethyl)benzyl]benzene-1,2-diol and Regioselective O-Demethylation of Aryl Methyl Ethers Yusuf Akbaba, Halis Türker Balaydın, Süleyman Göksu, Ertan Şahin and Abdullah Menzek Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 54 . 3-Methoxy-9H-pyrido[3,4-b]indol-1(2H)-one C12H10N2O2 相似度:50% Molecules 2010 15 5680-5691 A Facile Synthesis of 3-Substituted 9H-Pyrido[3,4-b]indol-1(2H)-one Derivatives from 3-Substituted β-Carbolines Guowu Lin, Yue Wang, Qingfa Zhou, Weifang Tang, Jian Wang and Tao Lu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 55 . Compound 4 相似度:50% Magnetic Resonance in Chemistry 2009 47 752-756 1H, 13C and 15N NMR spectral assignments for new triazapentalene derivatives (pages 752–756) Pascal Palmas, Coralie Nyffenegger, Eric Pasquinet and Gérald Guillaumet Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 56 . Compound 5 相似度:50% Magnetic Resonance in Chemistry 2009 47 752-756 1H, 13C and 15N NMR spectral assignments for new triazapentalene derivatives (pages 752–756) Pascal Palmas, Coralie Nyffenegger, Eric Pasquinet and Gérald Guillaumet Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 57 . 3,4'-Dihydroxy-2. 3'-bipyridine C10H8N2O2 相似度:50% Phytochemistry 1983 22 2847-2850 Structure of a bipyridine alkaloid from Broussonetia zeylanica A. A. Leslie Gunatilaka, M. Uvais, S. Sultanbawa, Sivagnanasundram Surendrakumar, Ratnaswamy Somanathan Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 58 . compound aglycone 1 相似度:50% Pharmazie 2003 58 932-934 A novel naphthanol glycoside from Terminalia arjuna with antioxidant and nitric oxide inhibitory activities A. Ali, G. Kaur, K. Hayat, M. Ali, and M. Ather Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 59 . apiol 相似度:50% Chemistry of Natural Compounds 2010 46 651-653 Main constituents and cytotoxic activity of the essential oil of Piper artanthe E. Avella and J. Rios-Motta Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 60 . compound 2 C9H9N3O2 相似度:50% Tetrahedron Letters 2002 43 9569-9571 New and versatile syntheses of 3-alkyl- and 3-aryl-1,2,4-benzotriazine 1,4-dioxides: preparation of the bioreductive cytotoxins SR 4895 and SR 4941 Michael P Hay, William A Denny Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 61 . compound 3 C10H11N3O3 相似度:50% Tetrahedron Letters 2002 43 9569-9571 New and versatile syntheses of 3-alkyl- and 3-aryl-1,2,4-benzotriazine 1,4-dioxides: preparation of the bioreductive cytotoxins SR 4895 and SR 4941 Michael P Hay, William A Denny Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 62 . 3-Amino-5,7,8-trichloro-6-hydroxycinnoline-4-carbonitrile C9H3Cl3N4O 相似度:50% Tetrahedron Letters 2003 44 3493-3496 An efficient and facile synthesis of substituted cinnoline and benzo[h]cinnoline derivatives Mohsen Abdel-Motaal Gomaa Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 63 . 3,3'-(trans-3,5-cyclopentenyl)di(1-tertbutylimidazolium) bromide 相似度:50% Tetrahedron Letters 2004 45 8695-8698 Synthesis of a new zwitterionic cyclopentadienyl-imidazolium compound and isolation of the 3,3'-(trans-3,5-cyclopentenyl)di(1-tert-butylimidazolium)bromide intermediate Karl S. Coleman, Simon Turberville, Sofia I. Pascu, Malcolm L.H. Green Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 64 . cis-3,4-Bis(indol-3-yl)-N-hydroxymethyl-pyrrolidin-2,5-dione C20H15O3N3 相似度:50% Bioorganic & Medicinal Chemistry 1993 1 193-196 Protein kinase C inhibitors; Structure—activity relationships in K252c-related compounds Serge Fabre, Michelle Prudhomme, Maryse Rapp Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 65 . 2,3-dihydro-1,4-benzoxathiin-4,4-dioxide C14H14O3S 相似度:50% Bioorganic & Medicinal Chemistry 1994 2 681-690 Biocatalytic desulfurization of arylsulfonates Matthew W. Dudley, J.W. Frost Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 66 . 2,4,6-Tribromo-3-(2-bromoethyl)anisole C9H8OBr4 相似度:50% Bioorganic & Medicinal Chemistry 2000 8 1757-1766 Synthesis and biological activities of the marine bryozoan alkaloids convolutamines A, C and F, and lutamides A and C Hirofumi Hashima, Masahiko Hayashi, Yoshiaki Kamano, Nobuhiro Sato Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 67 . Lutamide C C11H12NO2Br3 相似度:50% Bioorganic & Medicinal Chemistry 2000 8 1757-1766 Synthesis and biological activities of the marine bryozoan alkaloids convolutamines A, C and F, and lutamides A and C Hirofumi Hashima, Masahiko Hayashi, Yoshiaki Kamano, Nobuhiro Sato Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 68 . 5-Amino-3,4-dicyanopyrazole-1-carbothioic acid allylamide C9H8N6S 相似度:50% Zeitschrift für Naturforschung B 2004 59 910-916 Ethenetetracarbonitrile and Heterocyclization of Symmetrical Dithiobiurea as well as Thioureidoethylthiourea Derivatives A. A. Hassan, A.-F. E. Mourad, K. M. El-Shaieb, and A. H. Abou-Zied Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 69 . (5-Chloropyrimidine-2,4,6-triyl)-1,1',1''-tris[4-(dimethylamino)pyridinium] tris(trifluoromethanesulfonate) C28H30ClF9N8O9S3 相似度:50% Zeitschrift für Naturforschung B 2006 61 396-405 Syntheses and Properties of Di- and Tricationic Hetarenium-Substituted Pyrimidines A. Schmidt and T. Mordhorst Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 70 . 3,4,4-Trichloro-2-nitro-N,N'-di-p-tolylbuta-1,3-diene-1,1-diamine C18H17Cl3N3O2 相似度:50% Zeitschrift für Naturforschung B 2010 65 843-860 Chemistry of Polyhalogenated Nitrobutadienes, Part 9: Acyclic and Heterocyclic Nitroenamines and Nitroimines from 2-Nitroperchlorobuta-1,3-diene V. A. Zapol'skii, J. C. Namyslo, M. Gjikaj, and D. E. Kaufmann Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 71 . 5-(4-Ethoxyphenylamino)-3-(hydrazonomethyl)-4-nitro-1Hpyrazole C12H15N6O3 相似度:50% Zeitschrift für Naturforschung B 2010 65 843-860 Chemistry of Polyhalogenated Nitrobutadienes, Part 9: Acyclic and Heterocyclic Nitroenamines and Nitroimines from 2-Nitroperchlorobuta-1,3-diene V. A. Zapol'skii, J. C. Namyslo, M. Gjikaj, and D. E. Kaufmann Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 72 . 3,5-dibromo-2-(2,4-dibromophenoxy)phenol C12H6Br4O2 相似度:50% Journal of the Chemical Society, Perkin Transactions 1 1981 2464-2467 Structural studies of halogenated diphenyl ethers from a marine sponge Robert Capon, Emilio L. Ghisalberti, Philip R. Jefferies, Brian W. Skelton and Allan H. White Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 73 . 1-allyloxy-2-nitrobenzene C9H9NO3 相似度:50% Heterocycles 2002 57 1997-2010 A New Synthesis of Substituted 2,5-Dihydrobenzooxepines Eng-Chi Wang,* Ming-Kun Hsu, Yu-Li Lin, and Keng-Shiang Huang Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 74 . compound IIIe 相似度:50% Heterocycles 2001 55 1133-1140 13C-NMR as Useful Tool for Unambiguous Identification of Ring Substituted N1(2)(3)-Alkylbenzotriazole Isomers Antonio Carta,* Paolo Sanna, Giuseppe Paglietti, and Fabio Sparatore Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 75 . 2-(4-methoxyphenylamino)-6-chloro-3-nitrobenzoicacid 相似度:50% Bioorganic & Medicinal Chemistry 2010 18 696-706 Triazoloacridin-6-ones as novel inhibitors of the quinone oxidoreductases NQO1 and NQO2 Karen A. Nolan, Matthew P. Humphries, John Barnes, Jeremy R. Doncaster, Mary C. Caraher, Nicola Tirelli, Richard A. Bryce, Roger C. Whitehead, Ian J. Stratford Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 76 . 2,2'-(α,α'-xylene)bis(sulfanediyl)bis-(4-nitrobenzoxazole) C22H14N4O6S2 相似度:50% Bioorganic & Medicinal Chemistry 2010 18 1617-1625 The first low μM SecA inhibitors Weixuan Chen, Ying-ju Huang, Sushma Reddy Gundala, Hsiuchin Yang, Minyong Li, Phang C. Tai, Binghe Wang Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 77 . 3,4,5,6-tetra-bromo-2-(2',4'-dibromo-phenoxy)-phenol C12H4Br6O2 相似度:50% Natural Product Research and Development 2007 19 603-604 Two Bromide Phenols from Sponge Dysideidae sp. LI Xiang;Mirko Bayer; LIN Wen-han; Peter Proksch Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 78 . 4-(3-hydroxy-2-nitrophenyl)-4-oxobut-2-enoic acid 相似度:50% Tetrahedron 2007 63 4990-4999 Novel human lens metabolites from normal and cataractous human lenses Jasminka Mizdrak, Peter G. Hains, Danuta Kalinowski, Roger J.W. Truscott, Michael J. Davies, Joanne F. Jamie Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 79 . 2,4-dimethylindole C10H11N 相似度:50% Tetrahedron 1994 50 3571-3574 New Indole Derivatives from the Fruit Bodies of Tricholoma sciodes and T. virgatum Luigi Garlaschelli, Zijie Pang, Olov Sterner, Giovanni Vidari Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 80 . 1,4-bis[3-(1H-imidazol-1-yl)propoxy]benzenedihydrochloride C18H24N4O2Cl2 相似度:50% Bioorganic & Medicinal Chemistry 2011 19 6525-6542 The anti-malarial activity of bivalent imidazolium salts Jason Z. Vlahakis, Simona Mitu, Gheorghe Roman, E. Patricia Rodriguez, Ian E. Crandall, Walter A. Szarek Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 81 . 3,5-dibromo-2-(2',4'-dibromophenoxy)phenol 相似度:50% The Journal of Organic Chemistry 1997 62 3810-3819 Longithorones, Unique Prenylated Para-and Metacyclophane Type Quinones from the Tunicate Aplidium longithorax Xiong Fu, M. Bilayet Hossain, Francis J. Schmitz, and Dick van der Helm Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 82 . ethyl 2-formyl-4-furoate C8H8O4 相似度:50% Tetrahedron 1996 52 4245-4256 Two practical syntheses of an anti-inflammatory sesquiterpene furoic acid from Sinularia spp David H. Williams, D. John Faulkner Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 83 . α,β-bis(3-oxo-indolinyliden-20-ethane 相似度:50% Tetrahedron 1999 55 14421-14428 Synthesis, crystal structure and light absorption of vinylogous N,N′-dialkylindigos Lutz Fitjer, Ralf Gerke, Wolfgang Lüttke, Peter Müller, Isabel Usón Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 84 . 5-formylbenzofuroxan C7H4N2O3 相似度:50% Bioorganic & Medicinal Chemistry 2009 17 3028-3036 Design, synthesis, antimicrobial activity and molecular modeling studies of novel benzofuroxan derivatives against Staphylococcus aureus Salomão Dória Jorge, Andrea Masunari, Carlota Oliveira Rangel-Yagui, Kerly Fernanda Mesquita Pasqualoto, Leoberto Costa Tavares Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 85 . 2-amino-1H-indole-3-carbonitrile C9H7N3 相似度:50% Bioorganic & Medicinal Chemistry 2009 17 4406-4419 Synthesis and cytotoxic activity of 5,6-heteroaromatically annulated pyridine-2,4-diamines C. Willemann, R. Grünert, P.J. Bednarski, R. Troschütz Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 86 . 8-hydroxy-5,7,9-trimethyl-δ-carboline C14H14N2O 相似度:50% Bioorganic & Medicinal Chemistry 2008 16 3825-3830 Synthesis of eudistomin D analogues and its effects on adenosine receptors Haruaki Ishiyama, Kengo Ohshita, Tetsuro Abe, Hiroyasu Nakata, Jun’ichi Kobayashi Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 87 . 3-ethyl-4-phenoxy-1H-pyrazol-5(4H)-one C11H12N2O2 相似度:50% Journal of Heterocyclic Chemistry 2011 48 323-330 A novel route to 4-oxy/thio substituted-1H-pyrazol-5(4H)-ones via efficient cross-Claisen condensation R. Venkat Ragavan and V. Vijayakumar Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 88 . 2,3-di(benzothienyl-3)cyclopropen-1-one 相似度:50% Russian Journal of Organic Chemistry 2005 41 689-693 Electrophilic Substitution in Aromatic and Heteroaromatic Substrates by Trichlorocyclopropenylium Tetrachloroaluminate Yu. V. Skornyakov, N. A. Lozinskaya, M. V. Proskurnina and N. S. Zefirov Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 89 . 4-(trifluoromethoxy)-benzophenone 相似度:50% Tetrahedron 2012 68 2283-2288 Palladacycle-catalyzed cross-coupling reactions of arylboronic acids with carboxylic anhydrides or acyl chlorides Ajuan Yu, Lei Shen, Xiuling Cui, Dongpo Peng, Yangjie Wu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 90 . 2-hydroxyquinolizinium 相似度:50% Organic Magnetic Resonance 1983 21 220-221 13C NMR spectra of some monosubstituted quinolizinium bromides A. Van Veldhuizen, M. Van Dijk and G. M. Sanders Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 91 . 3-bromo-6-dinitroindazole 相似度:50% Organic Magnetic Resonance 1982 19 225-227 Carbon-13 NMR study of some isomeric n-nitroindazole derivatives Pauline Cohen-Fernandes, Cornelis Erkelens and Clarisse L. Habraken Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 92 . 1-methyl-1H-benzo[d]imidazol-2-amine 相似度:50% Organic Magnetic Resonance 1982 20 212-216 Investigation of benzimidazoles. III—transmission of the substituent effects in 2-substituted 1-methylbenzimidazoles studied by 13C nuclear magnetic resonance V. A. Lopyrev, L. I. Larina, T. I. Vakul'skaya, E. F. Shibanova, I. A. Titova, M. G. Voronkov and E. E. Liepin'sh Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 93 . 4-Methoxyindole-3-carboxylic acid C10H9NO3 相似度:50% Phytochemistry 2011 72 2308-2316 Interaction of cruciferous phytoanticipins with plant fungal pathogens: Indole glucosinolates are not metabolized but the corresponding desulfo-derivatives and nitriles are M. Soledade C. Pedras, Sajjad Hossain Structure 13C NMR 碳谱模拟图 |
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