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moonface551捐助贵宾 (小有名气)
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[求助]
求助微谱
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感谢大家帮忙，c谱数据: 143.4,141.2,128.2,121.5,121.4,118.4,54.4,21.7,5.9 |
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kaola0916
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5楼2012-06-11 12:38:06
moonface551
捐助贵宾 (小有名气)
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3楼2012-06-09 20:30:51
kaola0916
铁杆木虫 (著名写手)
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【答案】应助回帖
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感谢参与，应助指数 +1
moonface551: 金币+10, ★★★很有帮助 2012-06-11 15:13:06
感谢参与，应助指数 +1
moonface551: 金币+10, ★★★很有帮助 2012-06-11 15:13:06
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查询模式：模糊查询 碳谱数据输入： 按从小到大顺序输入，数字间用英文半角逗号(,)分隔例如： 21.4,30.4,37.4,73.2,73.7,125.6,126.6,139.6,140.2,168.2 5.9,21.7,54.4,118.4,121.4,121.5,128.2,141.2,143.4 溶剂选项： 全部 CDCl3 CD3CD2OD CD2Cl2 C5D5N C3D7NO CD3SOCD3 C4D8O (CH3)4Si C4D8O2 CD3COOD C4D8O2 H2O D2O CF3COOD CD3OD ND3 CD3COCD3 C6D6 CD3CN 查询空值 匹配容差： (数字格式，可自行设定) 相似度： %(相似度>=50%) 查询结果：共查到47个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . 4-[(E)-(2H-1,2,3-benzotriazol-2-ylimino)methyl]pyridin-3-ol 相似度:55.5% Molecules 2006 11 453-463 Syntheses and Structural Studies of Schiff Bases Involving Hydrogen Bonds Almudena Perona, Dionisia Sanz, Rosa M. Claramunt and José Elguero Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . 2(1H)-quinolinone 相似度:55.5% Natural Product Research 1993 3 227-231 Isolation of Quinolinones from Ayurvedic Processed Root Tubers of Aconitum ferox1 Jampani Bhogi Hanuman; Alfred Katz Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . 2-quinolone 相似度:55.5% Acta Pharmaceutica Sinica 1990 Vol 25 382-386 STUDIES ON THE CHEMICAL CONSTITUENTS OF BRUCEA JAVANICA (L.) MERR YN Yu and X Li Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . 2-Methoxy-4-methyl-2-nitrophenol 相似度:55.5% Canadian Journal of Chemistry 2009 87 1144-1147 Aluminum nitrate and silica sulfuric acid as efficient nitrating media for the mononitration of phenols under mild and heterogeneous conditions Arash Ghorbani-Choghamarani, Hamid Goudarziafshar, Mohsen Nikoorazm, and Somaieh Yousefi Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . 2-(4-Methoxyphenyl)acetonitrile 相似度:55.5% Phytochemistry Letters 2012 5 351-357 Antimicrobial volatile glucosinolate autolysis products from Hornungia petraea (L.) Rchb. (Brassicaceae) Niko S. Radulović, Milan S. Dekić, Zorica Z. Stojanović-Radic Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . (6-methyl-pyrazin-2-yl)-phenylamine C11H11N3 相似度:55.5% Journal of Heterocyclic Chemistry 2008 45 1451-1456 A general and efficient route to 6-methyl-pyrazin-2-yl-amines: Alkylation of 2,6-dichloropyrazine via malonate derivatives Paul J. J. Colbon,Alison C. Foster,Melvyn E. Giles,Zakariya Patel and John T. Singleton Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . 3-(1H-indol-3-ylmethyl)-1H-indole C17H14N2 相似度:55.5% Indian Journal of Chemistry 2007 46B 669-673 Efficient synthesis of bis(indolyl) methanes in aqueous medium catalyzed by molybdenyl acetylacetonate Banerjee,B; Mandal,S K; Roy,S C Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . 2,5-dimethyl-3,6-bis(N-methyl-N-phenylamino)pyrazine C20H22N4 相似度:55.5% Heterocycles 2008 76 689-698 Preparation of 1, 3, 3a, 7a-Tetrahydroisothianaphthene and Its Application to Tetrahydrothiophene-Fused Porphyrin Yukiko Katsuyama, Eita Yoshida, Hiroki Uoyama, Noboru Ono, and Hidemitsu Uno Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . 6,8-Dibromo-2-methyl-4H-benzo[d][1,3]oxazin-4-one C9H5Br2NO2 相似度:55.5% Molecules 2011 16 10187-10201 Synthesis and Analgesic Activity of Some New Pyrazoles and Triazoles Bearing a 6,8-Dibromo-2-methylquinazoline Moiety Hosam A. Saad, Nermen A. Osman and Ahmed H. Moustafa Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . 6-Fluoro-8-bromo-2-methyl-4H-3,1-benzoxazin-4-one 相似度:55.5% Tetrahedron 2012 68 534-543 Preparation of 6-aminoquinazolin-4(3H)-ones via direct SNAr on the quinazoline ring Bernard Barlaam, Craig S. Harris, Jonathan Lecoq, Ha Thi Hoang Nguyen Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 11 . 4-(3-Oxocyclobutyl)phenyl acetate C12H12O3 相似度:55.5% Tetrahedron 2012 68 4145-4151 Baeyer–Villiger Oxidation of Cyclobutanones with 10-Methylacridinium as an Efficient Organocatalyst Original Research Article Hua-Jian Xu, Feng-Fei Zhu, Yong-Ya Shen, Xin Wan, Yi-Si Feng Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 12 . 2-nitro-4-(1H-tetrazol-1-yl)aniline C7H6N6O2 相似度:55.5% Russian Journal of Organic Chemistry 2010 46 291-297 Features of the synthesis of 1,1′-Phenylenebis(1H-tetrazoles) and their transformations in basic environment A. N. Vorob’ev, A. V. Baranovskii, P. N. Gaponic and O. A. Ivashkevich Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 13 . [4-(1H-tetrazol-1-yl)-2-chlorophenyl]cyanamide 相似度:55.5% Russian Journal of Organic Chemistry 2010 46 291-297 Features of the synthesis of 1,1′-Phenylenebis(1H-tetrazoles) and their transformations in basic environment A. N. Vorob’ev, A. V. Baranovskii, P. N. Gaponic and O. A. Ivashkevich Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 14 . 1-isopropylbenzimidazole C10H12N2 相似度:55.5% Russian Journal of Organic Chemistry 2003 39 1467-170 Synthesis of 1,3-Dialkylimidazolium and 1,3-Dialkylbenzimidazolium Salts O. V. Starikova, G. V. Dolgushin, L. I. Larina, P. E. Ushakov and T. N. Komarova, et al. Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 15 . 4-(2-hydroxy-4-methylphenyl)-1,2,3-thiadiazole C9H8N2OS 相似度:55.5% Russian Journal of Organic Chemistry 2002 38 1510-1518 4-(2-Hydroxyaryl)-1,2,3-thiadiazoles as a Source of 2-Benzofuranthiolates M. L. Petrov, W. Dehaen, M. A. Abramov, I. P. Abramova and D. A. Androsov Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 16 . 4-(2-hydroxy-4-methylphenyl)-1,2,3-selenadiazole C9H8N2OSe 相似度:55.5% Russian Journal of Organic Chemistry 2001 37 1643-1648 4-(2-Hydroxyaryl)-1,2,3-selenadiazoles as Precursors of Benzofuran-2-selenolates M. L. Petrov, M. A. Abramov, I. P. Abramova, W. Dehaen and Yu. I. Lyakhovetskii Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 17 . 3-bromo-indazole 相似度:55.5% 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 -------------------------------------------------------------------------------- 18 . 3-chloro-4-(2-hydroxyphenoxy)-5-methoxypyridazine C11H9N2O3 相似度:54.5% Heterocycles 2004 63 591-608 Reaction of [1,4]Benzodioxinopyridazines with Sodium Methoxide and Amines Etsuo Oishi,* Chitose Sugiyama, Ken-ichi Iwamoto, and Ikuo Kato Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 19 . Compound 3e C11H10N2O2 相似度:54.5% Bioorganic & Medicinal Chemistry Letters 2004 14 611-614 Synthesis and biological evaluation of novel coumarin derivatives with a 7-azomethine linkage Christos A. Kontogiorgis, Dimitra J. Hadjipavlou-Litina Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 20 . compound 4c 相似度:54.5% Tetrahedron 2012 68 2414-2420 Well-defined NHC–Pd(II)–Im (NHC=N-heterocyclic carbene; Im=1-methylimidazole) complex catalyzed C–N coupling of primary amines with aryl chlorides Lei Zhu, Yue-Mei Ye, Li-Xiong Shao Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 21 . compound 4d 相似度:54.5% Tetrahedron 2012 68 2414-2420 Well-defined NHC–Pd(II)–Im (NHC=N-heterocyclic carbene; Im=1-methylimidazole) complex catalyzed C–N coupling of primary amines with aryl chlorides Lei Zhu, Yue-Mei Ye, Li-Xiong Shao Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 22 . 7-bromo-2-methoxy-5-(propen-2-yl)quinoline C13H12BrNO 相似度:53.8% Bioorganic & Medicinal Chemistry 2010 18 7132-7143 Synthesis and biological activities of new di- and trimeric quinoline derivatives Sidonie Broch, Hélène Hénon, Anne-Laure Debaud, Marie-Laure Fogeron, Nathalie Bonnefoy-Bérard, Fabrice Anizon, Pascale Moreau Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 23 . 2-methylsulfinyl-3-methylthio-4,5,6-tribromoindole C10H8Br3NOS2 相似度:50% Journal of Natural Products 2005 68 815-817 Sulfur-Containing Polybromoindoles from the Formosan Red Alga Laurencia brongniartii Ali A. El-Gamal, Wei-Lung Wang, and Chang-Yih Duh Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 24 . 3,4,3' ,4' -tetrahydroxy-5,5' -diisopropyl-2,2' -dimethylbiphenyl 相似度:50% Planta Medica 1996 62 217-221 Antiperoxidative Components in Thymus vulgaris Hiroyuki Haraguchi, Takashi Saito, Harumi lshikawa, Hideyuki Date, Shizuko Kataoka, Yukiyoshi Tamura,and Kenji Mizutani Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 25 . 4,8,8-Trimethylspiro[2.6]nona-4,6-diene C12H18 相似度:50% Helvetica Chimica Acta 1981 64 2598-2605 Photochemical Reactions. 125th communication [1]. Photochemistry of homoconjugated cyclobutanones. I. Synthesis and photolysis of a Spiro [3.6]deca-5, 7-dien-1-one Terry A. Lyle, Bruno Frei Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 26 . N-acetyl-4-nitrotryptophan methyl ester 相似度:50% Phytochemistry 1995 40 41-43 4-Nitrotrypophans associated with the in vitro production of thaxtomin A by Streptomyces scabies Russell R. King, C. Harold Lawrence Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 27 . N,N-Diethyltryptamine C14H20N2 相似度:50% Bioorganic & Medicinal Chemistry 2011 19 3120-3127 Tryptamine derivatives as novel non-nucleosidic inhibitors against hepatitis B virus Shi-Jin Qu , Gui-Feng Wang ,Wen-Hu Duan,Shan-Yan Yao, Jian-Ping Zuo , Chang-Heng Tan ,Da-Yuan Zhu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 28 . 2-(4-Methoxyphenyl)-1H-benzimidazole 相似度:50% Canadian Journal of Chemistry 2008 86 1044-1051 Copper-catalyzed one-pot synthesis of benzimidazole derivatives Hashem Sharghi, Mona Hosseini-Sarvari, and Fatemeh Moeini Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 29 . 1-(2-Aminophenyl)-2,6-di(4-chloro)phenyl-4-phenyl-1,4-dihydropyridine C29H22Cl2N2 相似度:50% Canadian Journal of Chemistry 2006 84 1064-1073 A new and efficient one-pot solid-supported synthesis of 1,2,4,6-tetraaryl-1,4-dihydropyridines Anil K. Verma, Summon Koul, Tej K. Razdan, and Kamal K. Kapoor Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 30 . 2-((4,5-Dihydro-1H-imidazol-2-yl)methyl)-4-methyl-2H-benzotriazole C11H15Cl2N5 相似度:50% Bioorganic & Medicinal Chemistry 2012 20 108-116 Synthesis and biological activities of 2-[(heteroaryl)methyl]imidazolines Jaroslaw Saczewski,Alan Hudson, Mika Scheinin,Apolonia Rybczynska, Daqing Ma,Franciszek Saczewski, Shayna Laird, Jonne M. Laurila, Konrad Boblewski,Artur Lehmann, Jianteng Gu, Helena Watts Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 31 . N-(4-chlorophenyl)-N-[1-(3-thienyl)but-3-enyl]amine C14H14ClNS 相似度:50% Journal of Heterocyclic Chemistry 2008 45 927-930 An efficient preparation of new homoallylamines and-aminonitriles bearing furyl and thienyl rings Leonor Y. Vargas Méndez and Vladimir V. Kouznetsov Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 32 . 1-(1-cyano-1-phenylethyl)-3-phenylurea C16H15N3O 相似度:50% Journal of Heterocyclic Chemistry 2005 42 899-906 Multinuclear NMR studies and ab initio structure calculations of hindered phencyclone diels-alder adducts from symmetrical cyclic dienophiles: Cyclohexene,vinylene carbonate,vinylene trithiocarbonate and two N-aryl maleimides Ronald Callahan,Orlando Ramirez III,Kerstin Rosmarion,Robert Rothchild and Kevin C. Bynum Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 33 . 1,2,3,4-tetrahydroquinoline-2-carboxylic acid C10H11NO2 相似度:50% Heterocycles 2007 71 2131-2154 Design, Synthesis, and Evaluation of Tetrahydroquinoline-Linked Thiazolidinedione Derivatives as PPARγ Selective Activators HyeSung Kim, HyoJin Gim, Mihi Yang, Jae-Ha Ryu, and Raok Jeon Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 34 . 2-(4-methylphenyl)benzimidazole 相似度:50% Heterocycles 2004 63 41-54 Indium-mediated Reductive Inter-molecular Coupling Reaction of 2-Nitroaniline with Aromatic Aldehydes to Benzimidazoles Byeong Hyo Kim,* Rongbi Han, Ji Sook Kim, Young Moo Jun, Woonphil Baik, and Byung Min Lee Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 35 . N-[1-(Thien-3-yl)but-3-enyl]-N-(4-chlorophenyl)-amine C14H14ClNS 相似度:50% Bioorganic & Medicinal Chemistry 2008 16 794-809 Antifungal and cytotoxic activities of some N-substituted aniline derivatives bearing a hetaryl fragment Vladímir V. Kouznetsov, Leonor Y. Vargas Méndez, Maximiliano Sortino, Yelkaira Vásquez, Mahabir P. Gupta, Mónica Freile, Ricardo D. Enriz, Susana A. Zacchino Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 36 . compound 2a 相似度:50% Tetrahedron Letters 2003 44 1409-1411 A novel one-pot synthesis of 1,2,4-triazole-3,5-diamine derivatives from isothiocyanates and mono-substituted hydrazines Chunjian Liu, Edwin J. Iwanowicz Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 37 . compound 2f C12H12N2O2S 相似度:50% Tetrahedron Letters 2004 45 2805-2808 Ring-closing metathesis toward the synthesis of 2,5-dihydrofuran and 2,5-dihydropyrrole skeletons from Baylis-Hillman adducts Jeong Mi Kim, Ka Young Lee, Sangku Lee, Jae Nyoung Kim Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 38 . 6,7,12,13-Tetrahydro-5,7-dioxo-5H-indolo[2,3-a]furo[3,4-C]carbazole C20H10O3N2 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 -------------------------------------------------------------------------------- 39 . 2-Benzyliden-1-methylpyrrolidin 相似度:50% Zeitschrift für Naturforschung B 2008 63 985-992 Oxidation of 2-substituted Pyrrolidines and Piperidines as Nicotine Analogues (In German) H. Möhrle and J. Berlitz Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 40 . compound 14 相似度:50% 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 -------------------------------------------------------------------------------- 41 . 2-(phenylamino)selenazolo[5,4-b]pyridine C12H9N3Se 相似度:50% Heterocycles 2003 61 569-579 Selenium-containing Heterocycles from Isoselenocyanates: Synthesis of 2-Arylaminoselenazolo[5,4-b]pyridines Plamen K. Atanassov, Anthony Linden, and Heinz Heimgartner* Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 42 . (2E,6E)-2,6-bis((2-fluoropyridine-3-yl)methylene)cyclohexanone C18H14F2N2O 相似度:50% Bioorganic & Medicinal Chemistry 2010 18 6701-6707 Synthesis and cytotoxic potential of heterocyclic cyclohexanone analogues of curcumin Babasaheb Yadav, Sebastien Taurin, Rhonda J. Rosengren, Marc Schumacher, Marc Diederich, Tiffany J. Somers-Edgar, Lesley Larsen Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 43 . 2-(1-hydroxyethyl)-1-methyl-1H-benzimidazole C10H12N2O 相似度:50% Bioorganic & Medicinal Chemistry 2009 17 1724-1730 Synthesis and antiprotozoal activity of novel 1-methylbenzimidazole derivatives David Valdez-Padilla, Sergio Rodríguez-Morales, Alicia Hernández-Campos, Francisco Hernández-Luis, Lilián Yépez-Mulia, Amparo Tapia-Contreras, Rafael Castillo Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 44 . 15-ethoxy-13,17-dihydro-15λ5-dibenzo[e,k] [1,3,7,10,2]dioxadiazaphosphacyclotridecin-15-thione C18H19N2O3PS 相似度:50% Journal of Heterocyclic Chemistry 2011 48 317-332 Synthesis and antioxidant activity of novel 15-alkyl/aryl-13, 17-dihydro-15λ5-dibenzo [e, k] [1, 3, 7, 10, 2] dioxadiazaphosphacyclotridecin-15-selones/thiones/ones K. Reddi Mohan Naidu, M. Anil Kumar, E. Dadapeer, K. Ramesh Babu, C. Naga Raju and S. K. Ghosh Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 45 . 4-amino-N-(4-methylbenzoyl)-2-chlorophenol C14H12ClNO2 相似度:50% Russian Journal of Organic Chemistry 2011 47 214-229 Hydrohalogenation of N-acetyl(aroyl)-1,4-benzoquinone monoimines A. P. Avdeenko, S. A. Konovalova, O. N. Ludchenko, O. P. Ledeneva and A. V. Vakulenko Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 46 . 3,5-diphenylamino-1,2,4-triazole C14H13N5 相似度:50% Russian Journal of Organic Chemistry 2004 40 1222-1223 Synthesis and Reactions of 2-Benzoylmethyl-2-phenyl-4,6-di(phenylimino)-5H-1,3,5-dithiazinium Perchlorate T. E. Glotova, N. I. Protsuk, M. Yu. Dvorko and A.I. Albanov Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 47 . compound 4(R,S) 相似度:50% Organic Magnetic Resonance 1983 21 487-490 13C NMR spectra of 2,3-dihydro-1H-benzoazepines: Differentiation of diastereomers Ph. Uriac and J. Huet Structure 13C NMR 碳谱模拟图 |
4楼2012-06-11 12:36:59
moonface551
捐助贵宾 (小有名气)
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6楼2012-06-11 15:13:38
