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[求助]
求助化合物微谱搜索
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求助一个化合物的微谱查询，碳谱数据如下： 52.8,123.8,128.1,139.1,139.5,158.9,166.5 溶剂为甲醇，谢谢！ [ Last edited by alsjione on 2013-8-6 at 19:36 ] |
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jasminelw
铁杆木虫 (正式写手)
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【答案】应助回帖
★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与，应助指数 +1
alsjione: 金币+10 2013-08-28 22:00:08
感谢参与，应助指数 +1
alsjione: 金币+10 2013-08-28 22:00:08
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查询结果：共查到933个化合物(查询结果仅供参考) 1 . methyl-5-hydroxy-2-pyridinecarboxylate 相似度:100% Chinese Traditional and Herbal Drugs 2012 43 1273-1275 Chemical constituents from rhizomes of Coptis chinensis LI Zhi-feng; WANG Qi; FENG Yu-lin; RAO Yi; YANG Shi-Lin; PEI Yue-hu Structure 13C NMR 碳谱模拟图 2 . methyl-5-hydroxy-2-pyridinecarboxylate 相似度:100% Journal of Chinese Medicinal Materials 2010 33 373-376 Studies on the Chemical Constituents from Aerial Parts of Gynura divaricata CHEN Lei, SONG Zeng-yan, WANG Jin-jiang, SONG Hong-tao, ZHANG Guo-gang, WANG Jin-hui Structure 13C NMR 碳谱模拟图 3 . 5-hydroxy-2-pyridinecarboxylic acid C6H5NO3 相似度:85.7% Journal of Shenyang Pharmaceutical University 2009 26 878-881 Chemical constituents from Portulaca oleracea L. DING Huai-wei, LI Fei-fei, SONG Shao-jiang Structure 13C NMR 碳谱模拟图 4 . 2-imino-1,3-benzodithiol-4-carboxylic acid methyl ester C9H7NO2S2 相似度:75% Journal of Heterocyclic Chemistry 2000 37 955-958 Synthesis of 1,4,2-benzodithiazine carboxylates via ring expansion reaction of 1,3-benzodithioles Peter Stanetty, Gregor Hattinger, Marko D. Mihovilovic and Kurt Mereiter Structure 13C NMR 碳谱模拟图 5 . (E)-methyl-3-(thiophen-2-yl)acrylate C8H8O2S 相似度:75% Tetrahedron 2013 69 160-173 Synthesis of functionalized benzothiophenes and dibenzothiophenes by twofold Heck and subsequent 6π-electrocyclization reactions of 2,3-dibromothiophenes and 2,3-dibromobenzothiophenes Serge-Mithérand Tengho Toguem, Imran Malik, Munawar Hussain, Jamshed Iqbal, Alexander Villinger, Peter Langer Structure 13C NMR 碳谱模拟图 6 . 4-(4',6'-Dichloro-1',3',5'-triazin-2'-ylamino)benzenesulfonamide 相似度:71.4% Bioorganic & Medicinal Chemistry 2011 19 3105-3119 Sulfonamides incorporating 1,3,5-triazine moieties selectively and potently inhibit carbonic anhydrase transmembrane isoforms IX, XII and XIV over cytosolic isoforms I and II: Solution and X-ray crystallographic studies Fabrizio Carta, Vladimir Garaj , Alfonso Maresca , Jason Wagner,Balendu Sankara Avvaru ,Arthur H. Robbins , Andrea Scozzafava ,Robert McKenna , Claudiu T. Supuran Structure 13C NMR 碳谱模拟图 7 . Methyl 1-(Thiazol-2-yl)-1H-1,2,3-triazole-4-carboxylate C7H6N4O2S 相似度:71.4% Journal of Heterocyclic Chemistry 2005 42 1167-1173 Synthesis and antimycobacterial activity of alkyl 1-heteroaryl-1H-1,2,3-triazole-4-carboxylates Boštjan Japelj,Simon Rečnik,Petra Čebašek,Branko Stanovnik and Jurij Svete Structure 13C NMR 碳谱模拟图 8 . compound 9a C9H8N2O2S3 相似度:71.4% Journal of Heterocyclic Chemistry 2005 42 113-116 Synthesis of thiadiazoles,triazoles and oxadiazoles from sulfonyl acetic acids via a common route Venkatapuram Padmavathi,Pinnu Thriveni,Boggu Jagan Mohan Reddy and Adivireddy Padmaja Structure 13C NMR 碳谱模拟图 9 . compound 13a C9H8N2O3S2 相似度:71.4% Journal of Heterocyclic Chemistry 2005 42 113-116 Synthesis of thiadiazoles,triazoles and oxadiazoles from sulfonyl acetic acids via a common route Venkatapuram Padmavathi,Pinnu Thriveni,Boggu Jagan Mohan Reddy and Adivireddy Padmaja Structure 13C NMR 碳谱模拟图 10 . 5-chloro-1,2-benzisothiazole-3-one-1,1-dioxide 相似度:71.4% Journal of Heterocyclic Chemistry 2004 41 435-438 Facile synthesis of 1,2-benzisothiazole-3-one-1,1-dioxide methylsulfonyl derivatives Liang Xu and Mark L. Trudell Structure 13C NMR 碳谱模拟图 11 . compound 8a 相似度:71.4% Heterocycles 2010 80 863-872 Synthesis of α-Alkylidene-δ-valerolactones via the Conjugate Addition of Ketone Enolates to Functionalized Allyl Acetates P. Veeraraghavan Ramachandran and Annyt Bhattacharyya Structure 13C NMR 碳谱模拟图 12 . 1,4-bis-(2-chloro-5-vinylsulfinyl-4-nitrothien-3-yl)piperazine C16H14N4O6Cl2S4 相似度:71.4% Heterocycles 2004 63 1281-1298 Chemistry of Polyhalogenated Nitrobutadienes, 1: A New Synthesis of Perfunctionalized 3-Amino-4-nitrothiophenes Viktor A. Zapol'skii, Jan C. Namyslo, Arnold E. W. Adam, and Dieter E. Kaufmann* Structure 13C NMR 碳谱模拟图 13 . 5-amino-2,4-dihydro-2-phenyl-3H-pyrazol-3-one 相似度:71.4% 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 14 . compound 11 相似度:71.4% Tetrahedron Letters 2002 43 5789-5791 First [2+2]-cycloaddition of a 3,4-didehydropyridine and a ketene dialkyl acetal Natacha Mariet, Malika Ibrahim-Ouali, Maurice Santelli Structure 13C NMR 碳谱模拟图 15 . Mono-6-amino-6-deoxy-β-cyclodextrin 相似度:71.4% Tetrahedron Letters 2005 46 7899-7903 Deprotection of pinacolyl boronate esters via hydrolysis of intermediate potassium trifluoroborates Alexander K.L. Yuen, Craig A. Hutton Structure 13C NMR 碳谱模拟图 16 . (E)-p-coumaramide C9H9NO2 相似度:71.4% Natural Product Communications 2012 7 1047-1020 Amides and an Alkaloid from Portulaca oleracea Tetsuo Kokubun, Geoffrey C. Kite, Nigel C. Veitch and Monique S. J. Simmonds Structure 13C NMR 碳谱模拟图 17 . compound 4 相似度:71.4% Journal of the American Chemical Society 2007 129 12102-12103 Natural Products from isnA-Containing Biosynthetic Gene Clusters Recovered from the Genomes of Cultured and Uncultured Bacteria Sean F. Brady, John D. Bauer, Michael F. Clarke-Pearson, and Rachel Daniels Structure 13C NMR 碳谱模拟图 18 . methyl 4-(difluoromethyl)benzoate 相似度:71.4% Tetrahedron 2012 68 10145-10150 IF5–pyridine–HF: air- and moisture-stable fluorination reagent Shoji Hara, Miki Monoi, Ryosuke Umemura, Chiaki Fuse Structure 13C NMR 碳谱模拟图 19 . 4-(2-(bis(methylthio)methylene)hydrazinecarbonyl)pyridine 1-oxide C9H11N3O2S2 相似度:71.4% Heterocycles 2012 85 2269-2280 Synthesis, Characterization, and Tuberculostatic Activity of Novel Heterocyclic Compounds Derived from Dimethyl Heteroaroylcarbonohydrazonodithioates Katarzyna Gobis,* Henryk Foks, Ewa Augustynowicz-Kopeć, and Agnieszka Napiórkowska Structure 13C NMR 碳谱模拟图 20 . methylp-hydroxybenzoate 相似度:71.4% Journal of Chinese Medicinal Materials 2012 35 1095-1097 Chemical Constituents from Astilbe myriantha ZOU Yang, CUI Ying Structure 13C NMR 碳谱模拟图 21 . methyl 2-(dibromomethyl)nicotinate C8H7Br2NO2 相似度:71.4% Tetrahedron 2013 69 6799-6803 Tetrahydropyrido[d]pyridazinones—promising scaffolds for drug discovery Anatoliy G. Yaremenko, Dmitriy M. Volochnyuk, Vyacheslav V. Shelyakin, Oleksandr O. Grygorenko Structure 13C NMR 碳谱模拟图 22 . compound 4e 相似度:71.4% Organic Magnetic Resonance 1982 18 159-164 13C NMR study of some derivatives of 1,3,4-oxadiazoles, 1,3,4-thiadiazoles and isosydnones Gérard Aranda, Michèle Dessolin, Michel Golfier and Marie-George Guillerez Structure 13C NMR 碳谱模拟图 23 . 4-(Methoxycarbonyl)thiophene-3-carboxylic acid C7H6O4S 相似度:71.4% Bioorganic & Medicinal Chemistry 2012 20 5763-5773 Synthesis and evaluation of novel heteroaromatic substrates of GABA aminotransferase Dustin D. Hawker, Richard B. Silverman Structure 13C NMR 碳谱模拟图 24 . 6-hydroxy-3-pyridinecarboxylic acid C6O3NH5 相似度:71.4% Lishizhen Medicine and Materia Medica Research 2005 16 97-98 Study on the Chemical Constituents of Premna microphylla Turez DAI Sheng-jun; TANG Wen-zhao; DING Xing-bao Structure 13C NMR 碳谱模拟图 25 . 5-hydroxy-picolinic acid 相似度:71.4% Journal of Chinese Medicinal Materials 2010 33 373-376 Studies on the Chemical Constituents from Aerial Parts of Gynura divaricata CHEN Lei, SONG Zeng-yan, WANG Jin-jiang, SONG Hong-tao, ZHANG Guo-gang, WANG Jin-hui Structure 13C NMR 碳谱模拟图 26 . 对羟基苯甲酸甲酯 相似度:71.4% Chinese Traditional and Herbal Drugs 2011 42 1079-1082 Chemical constituents from Paraixeris serotina XU, Guo-xi Structure 13C NMR 碳谱模拟图 27 . 6-methylpicolinic acid 相似度:71.4% Applied Microbiology and Biotechnology 2010 86 1165-1170 Bioconversion of 2, 6-dimethylpyridine to 6-methylpicolinic acid by Exophiala dermatitidis (Kano) de Hoog DA5501 cells grown on n-dodecane Toyokazu Yoshida, Yuki Sada, Toru Nagasawa Structure 13C NMR 碳谱模拟图 28 . 2-methoxy-N-phenylpyrimidine-5-carboxamide C12H11N3O2 相似度:66.6% Heterocycles 2005 65 1079-1097 Reactions of Benzonitrile Oxide with Methoxypyrimidines and Pyrimidones Antonino Corsaro,* Venerando Pistarà, Antonio Rescifina, Maria A. Chiacchio, Anna Piperno, and Giovanni Romeo Structure 13C NMR 碳谱模拟图 29 . 3-(2-(bis(methylthio)methylene)hydrazinecarbonyl)pyridine 1-oxide C9H11N3O2S2 相似度:66.6% Heterocycles 2012 85 2269-2280 Synthesis, Characterization, and Tuberculostatic Activity of Novel Heterocyclic Compounds Derived from Dimethyl Heteroaroylcarbonohydrazonodithioates Katarzyna Gobis,* Henryk Foks, Ewa Augustynowicz-Kopeć, and Agnieszka Napiórkowska Structure 13C NMR 碳谱模拟图 30 . 2-(2,3,4,5,6-pentafluorophenoxycarbonyl)-6-(methoxycarbonyl)pyridine C34H38F5N3O5 相似度:63.6% European Journal of Organic Chemistry 2010 2675-2686 Calix[6]arene-Picolinamide Extractants for Radioactive Waste Treatment: Effect of Additional Carboxy Binding Sites in the Pyridine 6-Positions on Complexation, Extraction Efficiency and An/Ln Separation Elena Macerata, Francesco Sansone, Laura Baldini, Franco Ugozzoli, Frederic Brisach, Jaouad Haddaoui, Véronique Hubscher-Bruder, Françoise Arnaud-Neu, Mario Mariani, Rocco Ungaro and Alessandro Casnati Structure 13C NMR 碳谱模拟图 31 . N-formyl-m-aminobenzoic acid 相似度:62.5% Journal of Asian Natural Products Research 2000 2 305-309 N-Acetylation and N-Formylation of m-Aminobenzoic acid by Cell Suspension Cultures of Solanum Laciniatum Achmad Syahrani Tiurma Susanti Panjaitan Gunawan Indrayanto Alistair L. Wilkins Structure 13C NMR 碳谱模拟图 32 . 3-pyridinecarbaldehyde diacetate 1-oxide 相似度:62.5% Chemical & Pharmaceutical Bulletin 1987 35 4068-4077 The Mechanism of the Reaction of Nicotinic Acid 1-Oxide with Acetic Anhydride HIROYUKI NAGANO,YOSHIHARU NAWATA and MASATOMO HAMANA Structure 13C NMR 碳谱模拟图 |
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