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zhjy12345金虫 (小有名气)
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[求助]
微谱求一简单化合物的结构
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13C NMR (101 MHz, D2O) δ 157.23, 133.27, 129.18, 117.15, 72.05, 69.47, 55.60. 如果方便的话，麻烦留个参考文献的标题。谢谢 |
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kaola0916
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【答案】应助回帖
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感谢参与，应助指数 +1
leecius: 金币+1, 谢谢参与！ 2012-04-30 09:49:55
zhjy12345: 金币+20 2012-05-01 21:32:26
感谢参与，应助指数 +1
leecius: 金币+1, 谢谢参与！ 2012-04-30 09:49:55
zhjy12345: 金币+20 2012-05-01 21:32:26
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查询结果：共查到53个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . candicine 相似度:71.4% Fitoterapia 2000 71 605-606 Novel quinoline alkaloid from trunk bark of Galipea officinalis I. Jacquemond-ColletU, S. Hannedouche, I. Fourasté, C. Moulis Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . allyloxy-4-chlorobenzene C9H9ClO 相似度:71.4% 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 -------------------------------------------------------------------------------- 3 . 4-allyloxybenzyl alcohol 相似度:62.5% Indian Journal of Chemistry 2006 45B 1894-1899 Synthesis of model compounds for the investigation of biomarker’s thermal behaviour Sirkecioğlu,Okan; Karlığa,Bekir; Talınlı,Naciye; Snape,Colin Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . 4-allyloxybenzyl chloride 相似度:62.5% Indian Journal of Chemistry 2006 45B 1894-1899 Synthesis of model compounds for the investigation of biomarker’s thermal behaviour Sirkecioğlu,Okan; Karlığa,Bekir; Talınlı,Naciye; Snape,Colin Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . 1-allyloxy-4-methylbenzene C10H12O 相似度:62.5% 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 -------------------------------------------------------------------------------- 6 . 7-Nitroindazolinone 相似度:57.1% Helvetica Chimica Acta 2009 92 1952-1962 The Structures of Indazolin-3-one (=1,2-Dihydro-3H-indazol-3-one) and 7-Nitroindazolin-3-one Rosa M. Claramunt, Dionisia Sanz, Concepción López, Elena Pinilla, M. Rosario Torres, José Elguero, Pierre Nioche, C. S. Raman Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . aloe-emodin-8-O-β-D-glucopyranoside 相似度:57.1% Chinese Pharmaceutical Sciences 2006 15 206-210 Chemical Constituents of Rheum tanguticum Maxim.ex Balf. JIN Wei; GE Ri-li; HUANG Zhi-qin; WEI Quan-jia; BAO Tian-you; and TU Peng-fei Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . erythro-4-Hydroxyphenylpropan-7,8-diol C9H12O3 相似度:57.1% Phytochemistry 1996 42 1191-1193 4-hydroxyphenylpropan-7,8-diols and derivatives from Narvalina domingensis Basma A. A. A. Balboul, Ahmed A. Ahmed, Hideaki Otsuka, Alicia de Adams Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . threo-4-Hydroxyphenylpropan-7,8-diol C9H12O3 相似度:57.1% Phytochemistry 1996 42 1191-1193 4-hydroxyphenylpropan-7,8-diols and derivatives from Narvalina domingensis Basma A. A. A. Balboul, Ahmed A. Ahmed, Hideaki Otsuka, Alicia de Adams Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . 2'-monooxygenated flavone 相似度:57.1% Phytochemistry 1989 28 681-694 Natural occurrence and synthesis of 2'-oxygenated flavones,flavonols,flavanones and chalcones Munekazu Iinuma,Mizuo Mizuno Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 11 . 1-chloro-3-(4-chlorophenoxy)-2-propanol 相似度:57.1% Indian Journal of Chemistry 2009 48B 231-236 Facile,high regio- and chemoselective conversion of epoxides to β-chlorohydrins using chlorodiphenylphosphine under solvent-free conditions Aghapour,Ghasem; Afzali,Asieh; Salek,Fahimeh Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 12 . 2-hydroxythiobenzamide C7H7NS 相似度:57.1% Heterocycles 2005 65 1295-1309 Synthesis and Conversion of 3-(2-Hydroxythiobenzamido)benzofurans Detlef Briel Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 13 . Compound 2 C6H11N5 相似度:57.1% Bioorganic & Medicinal Chemistry Letters 1999 9 2953-2958 Guanidine-substituted imidazoles as inhibitors of nitric oxide synthase Robert N. Atkinson, S. Bruce King Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 14 . 2-Hydroxy-2-(4'-hydroxyphenyl)ethanol 相似度:57.1% Archives of Pharmacal Research 2006 29 617-623 Chemical constituents of the root of Dystaenia takeshimana and their anti-inflammatory activity Ju Sun Kim, Jin Cheul Kim, Sang Hee Shim, Eun Ju Lee and Wen Yi Jin, et al. Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 15 . compound 6 C9H10F2O3S 相似度:57.1% Tetrahedron Letters 2001 42 4861-4863 Electrolytic partial fluorination of organic compounds. Part 50: Highly selective anodic mono- and difluorination of 4-phenylthiomethyl-1,3-dioxolan-2-one and its synthetic application Katsutoshi Suzuki, Hideki Ishii, Toshio Fuchigami Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 16 . 2-(Allyloxy)-N,N-dimethylacetamide C7H13NO2 相似度:57.1% Tetrahedron 2012 68 1177-1184 Cross-metathesis of allyl halides with olefins bearing amide and ester groups Jeong In Yun, Hyoung Rae Kim, Sang Kyum Kim, Deukjoon Kim, Jongkook Lee Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 17 . 4-bromo-1-(cyclobutyloxy)benzene C10H11BrO 相似度:57.1% Russian Journal of Organic Chemistry 2011 47 1498-1500 Unusual rearrangement of (cyclopropylmethoxy)benzene and its derivatives in the presence of BF3·Et2O D. O. Ptashko, M. D. Khanova, V. A. Dokichev and Yu. V. Tomilov Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 18 . allyloxybenzene 相似度:57.1% Russian Journal of Organic Chemistry 2006 42 1299-1306 Generation of cyclopropanediazonium and its chemical transformations in the presence of phenol I. P. Klimenko, V. A. Korolev, Yu. V. Tomilov and O. M. Nefedov Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 19 . trans-4-(4-bromophenyloxymethyl)-1,3,2-dioxathiolane 2-oxides 相似度:57.1% Russian Journal of Organic Chemistry 2002 38 213-219 Cyclic Sulfites, Key Intermediates in Synthesis of 1-Alkylamino-3-aryloxy-2-propanols from Glycidol Z. A. Bredikhina, D. V. Savel'ev and A. A. Bredikhin Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 20 . (1E)-1-phenyl-1,5-hexadien-3-ol C12H14O 相似度:57.1% Russian Journal of Organic Chemistry 2001 37 1542-1548 Oxidation of Substituted 1,5-Hexadien-3-ols with Various Oxidants S. Servi, A. Cansiz, A. Acar and M. Koparir Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 21 . 1-(Benzyloxy)-4-(prop-2-en-1-yl)benzene 相似度:55.5% Helvetica Chimica Acta 2010 93 1299-1312 The Biomimetic Synthesis and First Characterization of the (+)- and (−  -Isocentrolobines, 2,6-cis- and 2,6-trans-Disubstituted Tetrahydro-2H-pyrans Frank Rogano, Georges Froidevaux and Peter Rüedi Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 22 . 4,5-dihydroxy-1,8-dioxy-2,3:6,7-dibenzocycloundecane C17H18O4 相似度:55.5% Heterocycles 2000 53 2459-2470 Synthesis of New Dihydroxy-dioxygenated ortho-[2,x]Cyclophanes Cristian Simion, Alina Simion, Yoshiharu Mitoma, Satoko Nagashima, Takatoshi Kawaji, Iwao Hashimoto, and Masashi Tashiro* Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 23 . (+)-diasyringaresinol C22H26O8 相似度:50% Journal of Natural Products 1998 61 863-866 Chemical Constituents from Cassytha filiformis II Fang-Rong Chang, Ya-Chieh Chao, Che-Ming Teng, and Yang-Chang Wu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 24 . (1Z,3E,5S*,6S*)-1-bromo-5,6-dichloro-2,6-dimethyl-octa-1,3,7-triene C10H13BrCl2 相似度:50% Phytochemistry 2009 70 597-600 Antiplasmodial halogenated monoterpenes from the marine red alga Plocamium cornutum Anthonia F. Afolayan, Maryssa G.A. Mann, Carmen A. Lategan, Peter J. Smith, John J. Bolton, Denzil R. Beukes Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 25 . (1Z,3E,5R*,6S*)-1-bromo-5,6-dichloro-2,6-dimethyl-octa-1,3,7-triene C10H13BrCl2 相似度:50% Phytochemistry 2009 70 597-600 Antiplasmodial halogenated monoterpenes from the marine red alga Plocamium cornutum Anthonia F. Afolayan, Maryssa G.A. Mann, Carmen A. Lategan, Peter J. Smith, John J. Bolton, Denzil R. Beukes Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 26 . (+)-Syringaresinol C22H26O8 相似度:50% Chemistry of Natural Compounds 2009 45 547-549 CYTOTOXIC CONSTITUENTS FROM Viscum coloratum Bai-Nian Chen, Guan-E Yang, Jian-Kuan Li,Hui-Jing Du, Qing-Shan Li, and Zhao-Ming Zhang Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 27 . 1(E)-Phenyl-1,5-hexadiene-3-ol C12H14O 相似度:50% Molecules 2002 7 104-111 An Investigation of the Reactions of Substituted Homoallylic Alcohols with Various Oxidation Reagents S. Servi and A. Acar Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 28 . l-bromo-2-[(4-methoxybenzyloxy)methyl]-2-propene C12H15BrO2 相似度:50% Natural Product Research 1997 10 1-6 A Short Synthesis of 4-(4-Methoxyphenethyl)-Cyclohex-2-en-1-one, A Natural Constituent of the Liverwort Plagiochila Longispina Johan Wennerberg; Torbjörn Frejd Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 29 . 1-deoxy-1-(4-hydroxyphenyl)-α-tagatopyranose 相似度:50% Chemical & Pharmaceutical Bulletin 1999 47 1618-1625 Studies on Nepalese Crude Drugs. XXVI. Chemical Constituents of Panch Aunle, the Roots of Dactylorhiza hatagirea D. DON. Haruhisa KIZU,Ei-ichi KANEKO and Tsuyoshi TOMIMORI Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 30 . (E)-1,1-dichloro-4-phenylbut-3-en-2-one C10H8Cl2O 相似度:50% Indian Journal of Chemistry 2009 48B 1424-1430 Cu(OTf)2-catalyzed -halogenation of ketones with 1,3-dichloro-5,5'-dimethylhydantoin and N-bromosuccinimide Jagdale,Arun R; Chouthaiwale,Pandurang V; Sudalai,Arumugam Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 31 . 4,5:8,9:12,13-tribenzo-2-methoxy-2-oxo-1,3,7,10-dioxadiaza-2-phosphacyclotrideca-6,10-diene C21H17N2O4P 相似度:50% Indian Journal of Chemistry 2007 46B 694-697 Remote dianions and their application in the synthesis of macroheterocycles Singh,M S; Singh,Pratibha; Raju,M David; Singh,A K Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 32 . cis-1,2-bis(trimethylsiloxy)-1,2-di(4-anisyl)cyclopropane C23H34O4Si2 相似度:50% Heterocycles 2008 76 1381-1399 Diastereoselective Nucleophilic Cyclopropanation of 1, 2-Diketones and α-Ketoimines with Bis(iodozincio)methane Kenichi Nomura, Keisuke Asano, Takuya Kurahashi, and Seijiro Matsubara Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 33 . N-(4,6-dichloropyrimidin-2-yl)benzamide C11H7N3OCl2 相似度:50% Heterocycles 2007 71 1107-1115 Efficient Synthesis of Pyrimidinecarbonitriles and Their Derivatives Petra Doláková, Milena Masojídková, and Antonín Holy Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 34 . (E)-3-methoxy-1-phenyl-1H-pyrazol-4,5-dione-4-oxime C10H9N3O3 相似度:50% Heterocycles 2004 63 1311-1334 Synthesis and NMR Spectroscopic Investigations with 3-Amino-, 3-Hydroxy-, and 3-Methoxy-4-acyl-1-phenyl-2-pyrazolin-5-ones Wolfgang Holzer* and Linda Hallak Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 35 . 3-(4-Methoxyphenyl)propanal 相似度:50% Helvetica Chimica Acta 2010 93 1299-1312 The Biomimetic Synthesis and First Characterization of the (+)- and (− -Isocentrolobines, 2,6-cis- and 2,6-trans-Disubstituted Tetrahydro-2H-pyrans Frank Rogano, Georges Froidevaux and Peter Rüedi Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 36 . Compound 10 相似度:50% Magnetic Resonance in Chmesitry 2005 43 535-542 Ring-substituted benzohydroxamic acids: 1H, 13C and 15N NMR spectra and NHOH proton exchange Jan Schraml, Marcela Tkadlecová, Statis Pataridis, Ludmila Soukupová, Vratislav Blechta, Jana Roithová and Otto Exner Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 37 . 3-Methylidene-6-methoxy-1,4-benzodioxan-2-one C10H8O4 相似度:50% Phytochemistry 1981 20 1955-1957 Secondary metabolites from Mycosphaerella ligulicola Gemma Assante, Lorenzo Camarda, Lucio Merlini, Gianluca Nasini Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 38 . O-anisic acid 相似度:50% Chinese Traditional and Herbal Drugs 2008 39 182-184 一枝黄花化学成分的研究 薛晓霞;仲浩;姚庆强 Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 39 . di-[2-hydroxy-3-(4'- (methylamino)phenoxy)]propyl ether C20H28N2O5 相似度:50% Chemistry of Natural Compounds 2010 46 86-87 A new propanol derivative from marine Pseudomonas sp. M474 Xiaoling Lu, Qiangzhi Xu, Fuchao Li, Xiaoyu Liu and Song Qin, et al. Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 40 . compound 5A+5B C8H10NClO 相似度:50% Tetrahedron Letters 2001 42 3247-3249 A mild and efficient method for aromatic chlorination of electron-rich arylalkyl amines Guixue Yu, Helen J Mason, Ximao Wu, Masaki Endo, James Douglas, John E Macor Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 41 . 3,6-Bis(tosyloxymethyl)pyridazine C20H20N2O6S2 相似度:50% Tetrahedron Letters 2002 43 11-13 C2-chiral dinucleating ligands with a 3,6-disubstituted pyridazine core Alexandre Picot, François P Gabbaı̈ Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 42 . compound 7b C44H52O12S4 相似度:50% Tetrahedron Letters 2002 43 4153-4156 Synthesis and alkali cation extraction ability of 1,3-alt-thiacalix[4]bis(crown) ethers Alajos Grün, Viktor Csokai, Gyula Parlagh, István Bitter Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 43 . compound 2f C10H10N2O4 相似度:50% Tetrahedron Letters 2003 44 3133-3136 Anodic methoxylation and acetoxylation of imines and imidates Daisuke Baba, Toshio Fuchigami Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 44 . compound 1 相似度:50% Zeitschrift für Naturforschung B 2004 59 692-698 Some Novel Amino Acid-Schiff Bases and their Complexes Synthesis, Characterization, Solid State Conductivity Behaviors and Potentiometric Studies N. Sar\i and P. Gürkan Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 45 . PericosineD 相似度:50% Organic & Biomolecular Chemistry 2007 5 3979-3986 Pericosines, antitumour metabolites from the sea hare-derived fungus Periconia byssoides. Structures and biological activities Takeshi Yamada, Masashi Iritani, Hirohumi Ohishi, Kayo Tanaka, Katsuhiko Minoura, Mitsunobu Doi and Atsushi Numata Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 46 . 1-allyloxy-3-methoxybenzene C10H12O2 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 -------------------------------------------------------------------------------- 47 . compound 9f C8H6O3Br2S2 相似度:50% Heterocycles 2000 52 365-382 Synthesis, Isolation, and Dimerization and Trimerization of Monosubstituted Thiophene 1,1-Dioxides Juzo Nakayama,* Hidehiro Nagasawa, Yoshiaki Sugihara, and Akihiko Ishii Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 48 . (2S,3R)-3,4-epoxy-2-hydroxy-1-(4'-hydroxyphenyl)butane C10H12O3 相似度:50% Heterocycles 2000 53 777-784 Total Syntheses of Kurasoins A and B, Novel Protein Farnesyltransferase Inhibitors, and Absolute Structures of Kurasoins A and B Tomoyasu Hirose, Toshiaki Sunazuka, Tian Zhi-Ming, Masaki Handa, Ryuji Uchida, Kazuro Shiomi, Yoshihiro Harigaya, and Satoshi Omura* Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 49 . 6-hydroxy-4,6-dimethyl-3-hepten-2-one C9H16O2 相似度:50% Natural Product Research and Development 2005 17 287-289 Studies on the Secondary Metabolism of a Streptosporangium sp. ZHANG Bing-huo; LI Yi-qing; YANG Xiao-jun;LI Qi-feng; LI Ming-gang; WEN Meng-liang Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 50 . compound 22 C14H18F2O5 相似度:50% Tetrahedron 1995 51 9201-9216 New fluorine-containing building blocks from trifluoroethanol. 1 Sunita T. Patel, Jonathan M. Percy, Robin D. Wilkes Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 51 . 4-cyano-N-(4-methoxyphenyl)benzenesulfonamide C14H12N2O3S 相似度:50% Journal of Heterocyclic Chemistry 2011 48 407-413 Biaryl sulfonamides from O-acetyl amidoximes: 1,2,4-Oxadiazole cyclization under acidic conditions Stefan Dosa, Jörg Daniels and Michael Gütschow Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 52 . 1-allyl-4-(allyloxy)benzene 相似度:50% Russian Journal of Organic Chemistry 2006 42 1299-1306 Generation of cyclopropanediazonium and its chemical transformations in the presence of phenol I. P. Klimenko, V. A. Korolev, Yu. V. Tomilov and O. M. Nefedov Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 53 . pericosine Do C8H12ClO5 相似度:50% Journal of Natural Products 2011 74 877-881 Stereostructure Reassignment and Determination of the Absolute Configuration of Pericosine Do by a Synthetic Approach Yoshihide Usami and Koji Mizuki Structure 13C NMR 碳谱模拟图 |
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