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中原1虎木虫 (正式写手)
科研界的黄金矿工
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[求助]
微谱求助
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最近分到一化合物，氢谱：6.58, 3.99，1.94, 1.23。 碳谱：170.5，145.5, 119.5，115.9, 59.9，20.8，14.2 请求帮助确定其化学结构！在此先谢过。 |
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潘宪伟
木虫 (正式写手)
- 应助: 225 (大学生)
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【答案】应助回帖
★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与，应助指数 +1
jiangchunyong: 金币+1, 谢谢 2013-03-05 15:49:16
中原1虎: 金币+10, ★★★很有帮助 2013-03-06 01:17:30
感谢参与，应助指数 +1
jiangchunyong: 金币+1, 谢谢 2013-03-05 15:49:16
中原1虎: 金币+10, ★★★很有帮助 2013-03-06 01:17:30
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查询结果：共查到58个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . ethyl 2-cyano-3-oxobutanoate C7H9NO3 相似度:71.4% Heterocycles 2005 65 77-94 Synthesis and Cyclization Reaction of Pyrazolin-5-one Derivatives Jae-Chul Jung, E. Blake Watkins, and Mitchell A. Avery* Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . ethyl 2-diethylamino-1,3-selenazole-4-carboxylate C10H16N2O2Se 相似度:62.5% Heterocycles 2007 74 1009-1014 Preparation of 2-Dialkylamino-1, 3-selenazoles by Reaction of N, N-Unsubstituted Selenoureas with α-Diketones Koichi Kanoh, Hideharu Ishihara, and Mamoru Koketsu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . 3-Amino benzoic acid ethyl ester 相似度:62.5% Archiv der Pharmazie 2008 341 386-392 Synthesis of Platensimycin Analogues and Their Antibiotic Potency Jürgen Krauss, Veronika Knorr, Vera Manhardt, Stefanie Scheffels and Franz Bracher Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . 1-(1-2-Methyl-4-nitroimidazole)-ethyl acetate 相似度:62.5% Chinese Chemical Letters 2011 22 417-420 Markovnikov addition of vinyl acetate with azoles catalyzed by potassium tert-butoxide Mazaahir Kidwai, Neeraj Kumar Mishra, Anwar Jahan Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . compound IIj 相似度:60% 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 -------------------------------------------------------------------------------- 6 . 3-methyicotonsduoethyes 相似度:57.1% Planta Medica 1985 51 172-173 The Compounds of Valeriana alliariifolia (2. Communication) Valepotriathydrines U. Koch und J. Hölzl Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . ethylgallate 相似度:57.1% Korean Journal of Pharmacognosy 1996 27(3) 212-218 Phenolic compounds from Acer ginnala Maxim Park, Woong-Yang Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . 3-Hydroxyl-anthranilamide C7H8N2O2 相似度:57.1% Chemical & Pharmaceutical Bulletin 2011 59(4) 447-451 Benzamides and Quinazolines from a Mangrove Actinomycetes Streptomyces sp. (No. 061316) and Their Inhibiting Caspase-3 Catalytic Activity in Vitro Guodong CHEN,Hao GAO, Jinshan TANG, Yuanfan HUANG, Ying CHEN, Ying WANG,Huinan ZHAO, Haipeng LIN, Qingyi XIE, Kui HONG, Jia LI, and Xinsheng YAO Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . dodecyl 4-tolyl selenone C19H32O2Se 相似度:57.1% Tetrahedron Letters 2000 41 5557-5560 Favorable effect of ortho substituents on selenoxide syn elimination of n-alkyl aryl selenoxides Shinsei Sayama, Tetsuo Onami Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . 2-[(2-amino-5-methylphenyl)dithio]-4-chlorophenylamine C14H16N2S2 相似度:57.1% Journal of Heterocyclic Chemistry 2000 37 1655-1658 Syntheses of 2,4-diaryl-2,3-dihydro-1,5-benzothiazepines Alan R. Katritzky, Boris V. Rogovoy, Christophe Chassaing, Vladimir Vvedensky, Behrouz Forood, Brenton Flatt and Hisao Nakai Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 11 . ethyl N-acetyl-3-N-chloroaminopropionate C7H12ClNO3 相似度:57.1% Heterocycles 2008 76 1511-1524 Synthesis of Substituted Aziridines via Intramolecular Reaction of β-N-Chloroethylamino Carbanions Mieczyslaw Makosza, Karolina Bobryk, and Dariusz Krajewski Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 12 . 2-acetylaminopyridine C7H8N2O 相似度:57.1% Heterocycles 2006 67 797-805 Pyridine-derived Heterocycles as Potential Photoacylating Reagents Céline Helgen and Christian G. Bochet* Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 13 . ethyl 1-(bromoacetyl)cyclopropanecarboxylate C8H12O3Br 相似度:57.1% Heterocycles 2004 63 699-706 Practical Synthesis of DQ-113, a New Quinolone Antibacterial Agent, by Using the Intramolecular Horner-Wadsworth-Emmons Reaction Hiroaki Inagaki, Toshiyuki Takeda, Rie N. Miyauchi, Katsuhiro Kawakami, Hisashi Takahashi, and Makoto Takemura* Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 14 . ethylgallate 相似度:57.1% Journal of Shenyang Pharmaceutical University 2010 27 635-638 Isolation and identification of chemical constituents from leaves of Camellia pitardii Coh. St SHI Hai-feng, FENG Bao-min, SHI Li-ying, TANG Ling, HOU Lei, WANG Yong-qi Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 15 . Ethyl[2,4,5-13C3]3-methyl-2-butenoate C7H12O2 相似度:57.1% Bioorganic & Medicinal Chemistry 1994 2 631-637 Enzymatic synthesis of isotopically labeled isoprenoid diphosphates Dale J. Christensen, C.Dale Poulter Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 16 . Darstellung von (η6-Hexamethylbenzol-)[tris(isocyanessigs ¨aureethylester)]ruthenium(III)-bis(tetrafluoroborat) C27H36N3O6B2F8Ru 相似度:57.1% Zeitschrift für Naturforschung B 2004 59 190-195 Tris(2-isocyanocarboxylic Acid Ester) - Halfsandwich Complexes [(arene)M(CNCHR1CO2R2)3]2+ (M = Ru, Rh, Ir) M. A. Lang, P. Mayer, and W. Beck Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 17 . 3-Toluidine C7H9N 相似度:57.1% Tetrahedron 2012 68 1712-1722 One-pot aromatic amination based on carbon–nitrogen coupling reaction between aryl halides and azido compounds Toshihide Maejima, Yutaka Shimoda, Kei Nozaki, Shigeki Mori, Yoshinari Sawama, Yasunari Monguchi, Hironao Sajiki Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 18 . 2-(N-ethoxycarbonylaminomethyl)imidazole C7H11N3O2 相似度:57.1% Heterocycles 2002 57 2393-2400 Reactivities of 2-Aminomethylimidazole: an Approach for the Synthesis of Imidazo[1,5-a]imidazole Sujin Park and Yonghan Kang* Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 19 . diethyl 1-amino-1,4-dihydro-4-oxopyridine-3,5-dicarboxylate C11H14N2O5 相似度:57.1% Heterocycles 2000 53 2033-2042 Synthesis and Transformations of Alkyl 1,5-Bis(dimethylamino)-3-oxopenta-1,4-diene-2,4-dicarboxylates. A Simple Synthesis of Dialkyl 1-Substituted 4-Oxo-1,4-dihydropyridine-3,5-dicarboxy-lates Silvo Zupancic, Jurij Svete,* and Branko Stanovnik* Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 20 . ethyl gallate 相似度:57.1% Natural Product Research and Development 2007 19 67-69 Study on the Chemical Constituents of Sedum aizoon L. YU Zhi-bin; YANG Guang-yi; WU Xia;ZHOU Ya-wei* Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 21 . 2-(3',5'-dibromo-2'-methoxyphenoxy)-3,5-dibromoanisole 相似度:57.1% Tetrahedron 2000 56 5247-5252 New Sesquiterpene and Brominated Metabolites from the Tropical Marine Sponge Dysidea sp. George M. Cameron, Bronwin L. Stapleton, Shane M. Simonsen, Douglas J. Brecknell, Mary J. Garson Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 22 . 2-(3',5'-dibromo-2'-methoxyphenoxy)-3,4,5-tribromoanisole 相似度:57.1% Tetrahedron 2000 56 5247-5252 New Sesquiterpene and Brominated Metabolites from the Tropical Marine Sponge Dysidea sp. George M. Cameron, Bronwin L. Stapleton, Shane M. Simonsen, Douglas J. Brecknell, Mary J. Garson Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 23 . ethyl 1H-pyrrole-3-carboxylate 相似度:57.1% Molecules 2011 16 9368-9385 Synthesis and Biological Evaluation of 3-Substituted-indolin-2-one Derivatives Containing Chloropyrrole Moieties Yun-Zhou Jin, Da-Xu Fu, Nan Ma, Zhan-Cheng Li, Quan-Hai Liu, Lin Xiao and Rong-Hua Zhang Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 24 . 2-(methylthio)-oxazolopyridine 相似度:57.1% Bioorganic & Medicinal Chemistry 2008 16 114-125 New cyanine dyes as base surrogates in PNA: Forced intercalation probes (FIT-probes) for homogeneous SNP detection Lucas Bethge, Dilip Venkatrao Jarikote, Oliver Seitz Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 25 . (1H-benzimidazol-2-yl-sulfanyl)-acetic acid butylcarbamoyl(2-chloro-phenyl) methyl ester C21H22ClN3O3S 相似度:57.1% Archiv der Pharmazie 2012 345 65-72 Synthesis and In-vivo Evaluation of Carbonyl-amide Linkage Based New Benzimidazole Derivatives Irfan N. Shaikh, Kallappa M. Hosamani, Harisha R. Seetharamareddy and Mallinath H. Hugar Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 26 . (1H-benzimidazol-2-yl-sulfanyl)-acetic acidbutylcarbamoyl-(2,4-dinitro-phenyl) methyl ester C21H21N5O7S 相似度:57.1% Archiv der Pharmazie 2012 345 65-72 Synthesis and In-vivo Evaluation of Carbonyl-amide Linkage Based New Benzimidazole Derivatives Irfan N. Shaikh, Kallappa M. Hosamani, Harisha R. Seetharamareddy and Mallinath H. Hugar Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 27 . Ethyl 4-(sulfooxy)benzoate C9H10O6S 相似度:57.1% Natural Product Communications 2012 7 47-50 Phytochemical Analysis and Antioxidant Capacity of BM-21, a Bioactive Extract Rich in Polyphenolic Metabolites from the Sea Grass Thalassia testudinum Erik L. Regalado*, Roberto Menendez, Olga Valdés, Ruth A. Morales, Abilio Laguna,Olivier P. Thomas, Yasnay Hernandez, Clara Nogueiras and Anake Kijjoa Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 28 . ethyl gallate 相似度:57.1% Acta Pharmaceutica Sinica 2012 47 926-929 Phenolic acid derivatives from Alchornea trewioides QIN Ri-dong; CHENG Wei; ZHANG Qing-ying; LIANG Hong Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 29 . ethyl gallate 相似度:57.1% Lishizhen Medicine and Materia Medica Research 2009 20 1841-1842 Studies on the Chemical Constituents of Ethyl Acetate Extract from Lagerstroemia speciosa(Linn.) Pers Leaves ZHAN Qin; WANG Yan; LI Xia; YANG Ying-bo; CHEN Wan-sheng; SUN Lian-na Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 30 . 没食子酸乙酯 C9H10O5 相似度:57.1% Lishizhen Medicine and Materia Medica Research 2011 22 1350-1351 Chemical Constituents of Miao Medicine "Weitongning" WU Kong-yun; CHEN Jian-wei; YANG Na; LIANG Guang-yi; SUN Chao; JIN Feng-yun Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 31 . Ethyl 3-aminobenzoate C9H11NO2 相似度:55.5% Tetrahedron 2012 68 1712-1722 One-pot aromatic amination based on carbon–nitrogen coupling reaction between aryl halides and azido compounds Toshihide Maejima, Yutaka Shimoda, Kei Nozaki, Shigeki Mori, Yoshinari Sawama, Yasunari Monguchi, Hironao Sajiki Structure 13C NMR 碳谱模拟图 |
2楼2013-03-05 14:49:27