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zhanghc521铁杆木虫 (正式写手)
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[求助]
求助微谱数据库
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有微谱数据库的同学，帮忙查一下 溶剂：CDCl3 CNMR：44.2, 54.0, 62.7, 67.2, 119.8, 125.3, 126.8, 127.1, 141.0. |
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wangkaibo123
荣誉版主 (职业作家)
kerry
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专家经验: +726 - PhEPI: 3
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【答案】应助回帖
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感谢参与，应助指数 +1
zhanghc521: 金币+10, ★有帮助 2013-06-21 21:31:30
感谢参与，应助指数 +1
zhanghc521: 金币+10, ★有帮助 2013-06-21 21:31:30
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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 44.2, 54.0, 62.7, 67.2, 119.8, 125.3, 126.8, 127.1, 141.0 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106个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . compound 2b 相似度:66.6% Indian Journal of Chemistry 2006 45B 1880-1886 Synthesis of Fmoc-protected β-amino alcohols and peptidyl alcohols from Fmoc-amino acid / peptide acid azides Babu,Vommina V Suresh; Kantharaju; Sudarshan,Naremaddepalli S Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . tert-Butyl 5-(4-aminobutyl)-1-(9H-fluoren-9-yl)-3,6-dioxo-2,10,13,16-tetraoxa-4,7-diazanonadecan-19-oate C34H49O8N3 相似度:66.6% Tetrahedron 2012 68 1230-1240 Synthesis of SERS active nanoparticles for detection of biomolecules Joanna Wrzesien, Duncan Graham Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . trans-1-amino-2-hydroxymethylindane C10H13NO 相似度:60% Journal of Heterocyclic Chemistry 2004 41 69-75 Synthesis and stereochemistry of indano[1,2-d][1,3]oxazines and thiazines,new ring systems Mrta Palkó,Anasztzia Hetényi and Ferenc Fülöp Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . compound 2c 相似度:60% Indian Journal of Chemistry 2006 45B 1880-1886 Synthesis of Fmoc-protected β-amino alcohols and peptidyl alcohols from Fmoc-amino acid / peptide acid azides Babu,Vommina V Suresh; Kantharaju; Sudarshan,Naremaddepalli S Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . 4-methoxy-8-methyl-2H-1,4-benzoxazin-3(4H)-one C10H10NO3F3 相似度:60% Heterocycles 2003 59 149-160 Synthesis of Spiro-fused Nitrogen Heterocyclic Compounds via N-Methoxy-N-acylnitrenium Ions Using Phenyliodine(III) Bis(trifluoroacetate) in Trifluoroethanol Etsuko Miyazawa, Takeshi Sakamoto, and Yasuo Kikugawa* Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . L-2-Amino-4-methyl-N-(4-(trifluoromethyl)phenyl)pentanamide C13H17F3N2O 相似度:60% Molecules 2010 15 5112-5123 Synthesis and Antiviral Bioactivity of Chiral Thioureas Containing Leucine and Phosphonate Moieties Jingzi Liu, Song Yang, Xiangyang Li, Huitao Fan, Pinaki Bhadury, Weiming Xu, Jian Wu and Zhencao Wang Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . compound 13 C48H33Br3 相似度:60% Tetrahedron Letters 2002 43 6557-6560 A rapid, two step construction of novel C48H24 and C54H24 polycyclic aromatic hydrocarbons represented on the C60-fullerene surface via a threefold intramolecular Heck coupling reaction Goverdhan Mehta, P.V.V.Srirama Sarma Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . compound 17 相似度:55.5% Helvetica Chimica Acta 1978 61 661-668 Einfluss der Orientierung von Substituenten auf die chemische Verschiebung von 13C. II. 13C-NMR.-spektroskopische Untersuchung von substituierten Spiro [cyclopropan-1',9-fluorenen] Hans Fritz, Tammo Winkler, André M. Braun and Christian Decker Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . dispiro[bis(2H-benzo[f]-3,4-dihydro-1,5-dithiepine-3,2',3,6')cyclopentano[f']indan] C28H26S4 相似度:55.5% Organic letters 2000 2 425-427 New Spirans Containing a 1,5-Benzodithiepine System, Derived from Methylbenzenes. Conformational Transmission Joanna Barańska, Jacek Grochowski, Janusz Jamrozik, and Paweł Serda Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . spiro(2H-benzo[f]-3,4-dihydro-1,5-dithiepine-3,2'-indan) C17H16S2 相似度:55.5% Organic letters 2000 2 425-427 New Spirans Containing a 1,5-Benzodithiepine System, Derived from Methylbenzenes. Conformational Transmission Joanna Barańska, Jacek Grochowski, Janusz Jamrozik, and Paweł Serda Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 11 . compound 2a C18H15NO2S 相似度:55.5% Journal of Heterocyclic Chemistry 2010 47 825-830 E,E-Bis(styryl)sulfones—Synthons for a new class of bis(heterocycles) Venkatapuram Padmavathi, Boggu Jagan Mohan Reddy, Konda Mahesh, Pinnu Thriveni and Adivireddy Padmaja Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 12 . compound 2c C18H13Cl2NO2S 相似度:55.5% Journal of Heterocyclic Chemistry 2010 47 825-830 E,E-Bis(styryl)sulfones—Synthons for a new class of bis(heterocycles) Venkatapuram Padmavathi, Boggu Jagan Mohan Reddy, Konda Mahesh, Pinnu Thriveni and Adivireddy Padmaja Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 13 . compound 8 C19H18NO2Cl 相似度:55.5% Indian Journal of Chemistry 2008 47B 411-426 Stereochemistry and stereodynamics of N-chloroacetyl-r-2,c-6- diarylpiperidin-4-ones - NMR studies and semi-empirical molecular orbital calculations Venkatraj,M; Ponnuswamy,S; Jeyaraman,R Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 14 . 1-bromo-4-(3-thienyl)benzene 相似度:55.5% Heterocycles 2009 78 127-138 Preparation of Unsymmetrical 1,4-Bis[2-ethynyl-3-thienyl]benzene Derivatives Kozo Toyota, Yasutomo Tsuji, Kazuyuki Okada, and Noboru Morita Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 15 . 1,4-di(3-thienyl)benzene 相似度:55.5% Heterocycles 2007 71 2227-2236 Preparation of 1, 4-Bis(2-ethynyl-3-thienyl)benzenes as Versatile Spacers for Connection of Heterocycles Kozo Toyota, Yoichi Goto, Kazuyuki Okada, and Noboru Morita Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 16 . (Z)-crotyl 2-thiophenemethyl ether C8H10OS 相似度:55.5% Heterocycles 2005 66 535-542 Wittig Rearrangement of Ally 2-Thiophenemethyl Ethers: Facile Synthesis of Thiophenemethanol and -ethanol Derivatives Masayoshi Tsubuki,* Sohichiro Matsuo, and Toshio Honda* Structure 13C NMR 碳谱模拟图 |
2楼2013-06-21 21:05:57