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求助微谱，谢谢XF3-36 已有2人参与
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溶剂DMSO 26.78,27.78,29.81,34.01,60.02,67.90,72.61,111.42,115.37,116.83,118.07,119.36,127.72,127.86,136.88,143.34,144.31,155.26,161.60,204.73 |
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【答案】应助回帖
感谢参与，应助指数 +1
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查询结果：共查到86个化合物(查询结果仅供参考) 1 . juglanone B C20H18O6 相似度:65% Helvetica Chimica Acta 2013 96 1031-1035 Juglanones A and B: Two Novel Tetralone Dimers from Walnut Pericarp (Juglans regia) Cong-Ying Li, Hong-Jian Du, Xue-Hui Su, Yu-Jiao Zhong, Zhi-Peng Yuan, Yan-Fang Li and Bing Liang Structure 13C NMR 碳谱模拟图 2 . serpentine C22H26N2O4 相似度:57.1% Heterocycles 1981 16 1727-1733 Structure and Absolute Configuration of Serpenticine, a New Anhydronium Base from Rauwolfia vomitoria Afzuelia Abdul Malik, Nighat Afza, and Salimuzzaman Siddiqui Structure 13C NMR 碳谱模拟图 3 . (10R,11S,12R)-rel-10-(4-methoxyphenyl)-7-methyl-11,12-dihydro-10H-pyrazolo[1,2-a][1,2,4]triazolo-[3,4-c][1,2,4]benzotriazine-11,12-dicarboxamide C21H21N7O3 相似度:55% Heterocycles 2005 65 1889-1902 Regio- and Stereoselective Cycloadditions and Further Transformations of Azomethine Imine Derivatives of Fused [1,2,4]Triazines Csilla Gróf, Zsuzsanna Riedl, György Hajós,* Orsolya Egyed, Antal Csámpai, and Branko Stanovnik Structure 13C NMR 碳谱模拟图 4 . 2-(5-tert-butyl-2-hydroxyphenyl)-2,3-dihydro-1H-perimidine C21H22N2O 相似度:55% European Journal of Organic Chemistry 2010 4823-4831 Facile Synthesis of Substituted Mono-, Di-, Tri- and Tetra-2-aryl-2,3-dihydro-1H-perimidines Marta Martínez Belmonte, Eduardo C. Escudero-Adán, Jordi Benet-Buchholz, Robert M. Haak and Arjan W. Kleij Structure 13C NMR 碳谱模拟图 5 . juglanone A C20H18O5 相似度:55% Helvetica Chimica Acta 2013 96 1031-1035 Juglanones A and B: Two Novel Tetralone Dimers from Walnut Pericarp (Juglans regia) Cong-Ying Li, Hong-Jian Du, Xue-Hui Su, Yu-Jiao Zhong, Zhi-Peng Yuan, Yan-Fang Li and Bing Liang Structure 13C NMR 碳谱模拟图 6 . 6-(3-phenylpropoxy)coumarin C18H16O3 相似度:55% Journal of Chemical Ecology 2011 37 598-606 Antifeedant and Termiticidal Activities of 6-Alkoxycoumarins and Related Analogs Against Coptotermes formosanus Shiraki Morina Adfa, Yosuke Hattori, Tsuyoshi Yoshimura, Kenichi Komura, Mamoru Koketsu Structure 13C NMR 碳谱模拟图 7 . (4S,5S)-N-benzyloxycarbonyl-4-butenyl-5,5-diallyl-1,3-oxazinan-6-one C22H27NO4 相似度:55% Tetrahedron 2013 69 6275-6284 Diastereoselective synthesis of cyclic β2,3-amino acids utilizing 4-substituted-1,3-oxazinan-6-ones Brad E. Sleebs, Nghi H. Nguyen, Andrew B. Hughes Structure 13C NMR 碳谱模拟图 8 . 4-(6-Bromohexyloxy)-4''-cyano-p-terphenyl C25H24BrNO 相似度:55% Tetrahedron 2012 68 5513-5521 Regioselectivity control of photodimerization of liquid-crystalline cinnamoyl compounds by phase variation: dual functionality of p-terphenyl substituent as a mesogen and a triplet sensitizer Hideyuki Kihara, Yasuo Norikane, Masaru Yoshida Structure 13C NMR 碳谱模拟图 9 . ethyl 4-(5-(2-fluoro-4-nitrobenzamido)-1-methyl-1H-benzimidazol-2-yl)butanoate C21H21FN4O5 相似度:52.3% Bioorganic & Medicinal Chemistry 2010 18 2394-2401 18F Labeled benzimidazole derivatives as potential radiotracer for positron emission tomography (PET) tumor imaging Shuting Zhang, Xiao Wang, Yong He, Rui Ding, Hang Liu, Jingli Xu, Man Feng, Guixia Li, Ming Wang, Cheng Peng, Chuanmin Qi Structure 13C NMR 碳谱模拟图 10 . 2,3-dihydro-2-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]-dec-8-yl)methyl]-7H-1,4-dioxino[2,3-e]indole-8-carboxylic acid,methyl ester C26H28N4O5 相似度:52.3% Journal of Medicinal Chemistry 1992 35 3058-3066 Novel indolodioxanes with antihypertensive effects: potent ligands for the 5-HT1A receptor Michael D. Ennis, Mark E. Baze, Martin W. Smith, Charles F. Lawson, Robert B. McCall, Robert A. Lahti, Montford F. Piercey Structure 13C NMR 碳谱模拟图 11 . 4-amino-1-(2-(benzyloxy)ethyl)-2-butyl-7-methoxycarbonyl1H-imidazo[4,5-c]quinoline C25H28N4O3 相似度:52.3% Journal of Medicinal Chemistry 2014 57 339-347 Structure–Activity Relationship Analysis of Imidazoquinolines with Toll-like Receptors 7 and 8 Selectivity and Enhanced Cytokine Induction Charles E. Schiaffo, Ce Shi, Zhengming Xiong, Michael Olin, John R. Ohlfest, Courtney C. Aldrich, and David M. Ferguson Structure 13C NMR 碳谱模拟图 12 . lespeflorin C5 C21H24O5 相似度:50% Journal of Natural Products 2009 72 194-203 Melanin Synthesis Inhibitors from Lespedeza floribunda Maya Mori-Hongo,Hiroyuki Takimoto, Takayuki Katagiri, Makoto Kimura, Yu Ikeda, and Toshio Miyase Structure 13C NMR 碳谱模拟图 13 . Dihydro-combretastatin D-2 Benzyl Ether C25H24O4 相似度:50% Journal of Natural Products 2009 72 876-883 Antineoplastic Agents. 565. Synthesis of Combretastatin D-2 Phosphate and Dihydro-combretastatin D-2 George R. Pettit,Peter D. Quistorf, Jeremy A. Fry, Delbert L. Herald, Ernest Hamel, and Jean-Charles Chapuis Structure 13C NMR 碳谱模拟图 14 . aknadicine C19H23NO5 相似度:50% Journal of Natural Products 1996 59 476-480 New Morphinane and Hasubanane Alkaloids from Stephania cepharantha Noriaki Kashiwaba, Shigeo Morooka, Michiko Kimura, Minoru Ono, Jun Toda, Hideki Suzuki, and Takehiro Sano Structure 13C NMR 碳谱模拟图 |
2楼2015-01-13 12:18:47
wangkaibo123
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kerry
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【答案】应助回帖
★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与，应助指数 +1
xf890529: 金币+20, ★★★★★最佳答案, 谢谢 2015-01-13 15:19:44
感谢参与，应助指数 +1
xf890529: 金币+20, ★★★★★最佳答案, 谢谢 2015-01-13 15:19:44
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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 26.78,27.78,29.81,34.01,60.02,67.90,72.61,111.42,115.37,116.83,118.07,119.36,127.72,127.86,136.88,143.34,144.31,155.26,161.60,204.73 溶剂选项： 全部 CDCl3 CD3CD2OD CD2Cl2 C5D5N C3D7NO CD3SOCD3 C4D8O CD3COOD C4D8O2 D2O CF3COOD CD3OD 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86个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . juglanone B C20H18O6 相似度:65% Helvetica Chimica Acta 2013 96 1031-1035 Juglanones A and B: Two Novel Tetralone Dimers from Walnut Pericarp (Juglans regia) Cong-Ying Li, Hong-Jian Du, Xue-Hui Su, Yu-Jiao Zhong, Zhi-Peng Yuan, Yan-Fang Li and Bing Liang Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . serpentine C22H26N2O4 相似度:57.1% Heterocycles 1981 16 1727-1733 Structure and Absolute Configuration of Serpenticine, a New Anhydronium Base from Rauwolfia vomitoria Afzuelia Abdul Malik, Nighat Afza, and Salimuzzaman Siddiqui Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . (10R,11S,12R)-rel-10-(4-methoxyphenyl)-7-methyl-11,12-dihydro-10H-pyrazolo[1,2-a][1,2,4]triazolo-[3,4-c][1,2,4]benzotriazine-11,12-dicarboxamide C21H21N7O3 相似度:55% Heterocycles 2005 65 1889-1902 Regio- and Stereoselective Cycloadditions and Further Transformations of Azomethine Imine Derivatives of Fused [1,2,4]Triazines Csilla Gróf, Zsuzsanna Riedl, György Hajós,* Orsolya Egyed, Antal Csámpai, and Branko Stanovnik Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . 2-(5-tert-butyl-2-hydroxyphenyl)-2,3-dihydro-1H-perimidine C21H22N2O 相似度:55% European Journal of Organic Chemistry 2010 4823-4831 Facile Synthesis of Substituted Mono-, Di-, Tri- and Tetra-2-aryl-2,3-dihydro-1H-perimidines Marta Martínez Belmonte, Eduardo C. Escudero-Adán, Jordi Benet-Buchholz, Robert M. Haak and Arjan W. Kleij Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . juglanone A C20H18O5 相似度:55% Helvetica Chimica Acta 2013 96 1031-1035 Juglanones A and B: Two Novel Tetralone Dimers from Walnut Pericarp (Juglans regia) Cong-Ying Li, Hong-Jian Du, Xue-Hui Su, Yu-Jiao Zhong, Zhi-Peng Yuan, Yan-Fang Li and Bing Liang Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . 6-(3-phenylpropoxy)coumarin C18H16O3 相似度:55% Journal of Chemical Ecology 2011 37 598-606 Antifeedant and Termiticidal Activities of 6-Alkoxycoumarins and Related Analogs Against Coptotermes formosanus Shiraki Morina Adfa, Yosuke Hattori, Tsuyoshi Yoshimura, Kenichi Komura, Mamoru Koketsu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . (4S,5S)-N-benzyloxycarbonyl-4-butenyl-5,5-diallyl-1,3-oxazinan-6-one C22H27NO4 相似度:55% Tetrahedron 2013 69 6275-6284 Diastereoselective synthesis of cyclic β2,3-amino acids utilizing 4-substituted-1,3-oxazinan-6-ones Brad E. Sleebs, Nghi H. Nguyen, Andrew B. Hughes Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . 4-(6-Bromohexyloxy)-4''-cyano-p-terphenyl C25H24BrNO 相似度:55% Tetrahedron 2012 68 5513-5521 Regioselectivity control of photodimerization of liquid-crystalline cinnamoyl compounds by phase variation: dual functionality of p-terphenyl substituent as a mesogen and a triplet sensitizer Hideyuki Kihara, Yasuo Norikane, Masaru Yoshida Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . ethyl 4-(5-(2-fluoro-4-nitrobenzamido)-1-methyl-1H-benzimidazol-2-yl)butanoate C21H21FN4O5 相似度:52.3% Bioorganic & Medicinal Chemistry 2010 18 2394-2401 18F Labeled benzimidazole derivatives as potential radiotracer for positron emission tomography (PET) tumor imaging Shuting Zhang, Xiao Wang, Yong He, Rui Ding, Hang Liu, Jingli Xu, Man Feng, Guixia Li, Ming Wang, Cheng Peng, Chuanmin Qi Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . 2,3-dihydro-2-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]-dec-8-yl)methyl]-7H-1,4-dioxino[2,3-e]indole-8-carboxylic acid,methyl ester C26H28N4O5 相似度:52.3% Journal of Medicinal Chemistry 1992 35 3058-3066 Novel indolodioxanes with antihypertensive effects: potent ligands for the 5-HT1A receptor Michael D. Ennis, Mark E. Baze, Martin W. Smith, Charles F. Lawson, Robert B. McCall, Robert A. Lahti, Montford F. Piercey Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 11 . 4-amino-1-(2-(benzyloxy)ethyl)-2-butyl-7-methoxycarbonyl1H-imidazo[4,5-c]quinoline C25H28N4O3 相似度:52.3% Journal of Medicinal Chemistry 2014 57 339-347 Structure–Activity Relationship Analysis of Imidazoquinolines with Toll-like Receptors 7 and 8 Selectivity and Enhanced Cytokine Induction Charles E. Schiaffo, Ce Shi, Zhengming Xiong, Michael Olin, John R. Ohlfest, Courtney C. Aldrich, and David M. Ferguson Structure 13C NMR 碳谱模拟图 |
3楼2015-01-13 12:22:52