61.78,106.32,107.28,129.00,146.64,156.00,160.35,169.92
模糊查询，相似度大于70%
100.26,142.27,151.58,152.43,164.42
模糊查询，相似度大于50%
化合物1
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
61.78,106.32,107.28,129.00,146.64,156.00,160.35,169.92
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18个化合物(查询结果仅供参考)
--------------------------------------------------------------------------------
1 . 6-methoxyindole-4,7-quinone
C9H7NO3 相似度:55.5%
Tetrahedron 1998 54 10007-10016
Antimicrobial indolequinones from the mid-intestinal gland of the muricid gastropod Drupella fragum
Yoshiyasu Fukuyama, Chie Iwatsuki, Mitsuaki Kodama, Masamitsu Ochi, Kumi Kataoka, Kozo Shibata
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
2 . 6-bromo-5-hydroxyindole
C8H6BrON 相似度:50%
Journal of Natural Products 1998 61 1043-1045
Antioxidative Bromoindole Derivatives from the Mid-Intestinal Gland of the Muricid Gastropod Drupella fragum
Masamitsu Ochi, Kumi Kataoka, Saori Ariki, Chie Iwatsuki, Mitsuaki Kodama, and Yoshiyasu Fukuyama
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
3 . bergapten dimer
相似度:50%
Phytochemistry 1999 50 863-868
Furocoumarins of three species of the genus Dorstenia
Susana Rojas-Limα, Rosa Luisa Santillan, Miguel-Angel Dominguez,Atilano Gutirrez
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
4 . m-Anisidine
相似度:50%
Canadian Journal of Chemistry 2010 88 964-968
Preparation of aromatic amines by coppercatalyzedcoupling of boronic acids with aqueous ammonia
Zhaoqiong Jiang, Zhiqing Wu, Lixia Wang, Di Wu, and Xiangge Zhou
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
5 . Methyl 1-(1H-1,2,4-triazol-3-yl)-1H-1,2,3-triazole-4-carboxy- late
C6H6N6O2 相似度:50%
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
--------------------------------------------------------------------------------
6 . ethyl 3-methyl-7-oxo-1,4-dioxa-6-azaspiro[4.4]non-2,8-diene-2-carboxyate
C10H11NO5 相似度:50%
Heterocycles 2007 73 433-449
Spirocyclic and Fused Derivatives of Maleimide Based on Intra-and Intermolecular Reactions of Carbonyl Ylides from Diazocarbonyl Compounds
Vsevolod V. Nikolaev, Bärbel Schulze, Heinz Heimgartner, and Valerij A. Nikolaev
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
7 . Compound 3i
相似度:50%
Bioorganic & Medicinal Chemistry Letters 2006 16 2693-2698
Discovery of bitriazolyl compounds as novel antiviral candidates for combating the tobacco mosaic virus
Yi Xia, Zhijin Fan, Jianhua Yao, Quan Liao, Wei Li, Fanqi Qu, Ling Peng
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
8 . (1-Difluoromethyl-2-oxo-1,2-dihydropyridin-3-yl)acetonitrile
相似度:50%
Bioorganic & Medicinal Chemistry Letters 2010 20 2168-2173
Gang Yu, P.N. Praveen Rao, Morshed A. Chowdhury, Khaled R.A. Abdellatif, Ying Dong, Dipankar Das, Carlos A. Velazquez, Mavanur R. Suresh, Edward E. Knaus
Gang Yu, P.N. Praveen Rao, Morshed A. Chowdhury, Khaled R.A. Abdellatif, Ying Dong, Dipankar Das, Carlos A. Velazquez, Mavanur R. Suresh, Edward E. Knaus
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
9 . (1-Difluoromethyl-2-oxo-1,2-dihydropyridin-4-yl)acetic acid
C8H7F2NO3 相似度:50%
Bioorganic & Medicinal Chemistry Letters 2010 20 2168-2173
Gang Yu, P.N. Praveen Rao, Morshed A. Chowdhury, Khaled R.A. Abdellatif, Ying Dong, Dipankar Das, Carlos A. Velazquez, Mavanur R. Suresh, Edward E. Knaus
Gang Yu, P.N. Praveen Rao, Morshed A. Chowdhury, Khaled R.A. Abdellatif, Ying Dong, Dipankar Das, Carlos A. Velazquez, Mavanur R. Suresh, Edward E. Knaus 9 1 2 3 4 5 6 下一页 尾页
模糊查询，相似度大于70%
100.26,142.27,151.58,152.43,164.42
模糊查询，相似度大于50%
化合物1
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
61.78,106.32,107.28,129.00,146.64,156.00,160.35,169.92
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18个化合物(查询结果仅供参考)
--------------------------------------------------------------------------------
1 . 6-methoxyindole-4,7-quinone
C9H7NO3 相似度:55.5%
Tetrahedron 1998 54 10007-10016
Antimicrobial indolequinones from the mid-intestinal gland of the muricid gastropod Drupella fragum
Yoshiyasu Fukuyama, Chie Iwatsuki, Mitsuaki Kodama, Masamitsu Ochi, Kumi Kataoka, Kozo Shibata
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
2 . 6-bromo-5-hydroxyindole
C8H6BrON 相似度:50%
Journal of Natural Products 1998 61 1043-1045
Antioxidative Bromoindole Derivatives from the Mid-Intestinal Gland of the Muricid Gastropod Drupella fragum
Masamitsu Ochi, Kumi Kataoka, Saori Ariki, Chie Iwatsuki, Mitsuaki Kodama, and Yoshiyasu Fukuyama
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
3 . bergapten dimer
相似度:50%
Phytochemistry 1999 50 863-868
Furocoumarins of three species of the genus Dorstenia
Susana Rojas-Limα, Rosa Luisa Santillan, Miguel-Angel Dominguez,Atilano Gutirrez
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
4 . m-Anisidine
相似度:50%
Canadian Journal of Chemistry 2010 88 964-968
Preparation of aromatic amines by coppercatalyzedcoupling of boronic acids with aqueous ammonia
Zhaoqiong Jiang, Zhiqing Wu, Lixia Wang, Di Wu, and Xiangge Zhou
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
5 . Methyl 1-(1H-1,2,4-triazol-3-yl)-1H-1,2,3-triazole-4-carboxy- late
C6H6N6O2 相似度:50%
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
--------------------------------------------------------------------------------
6 . ethyl 3-methyl-7-oxo-1,4-dioxa-6-azaspiro[4.4]non-2,8-diene-2-carboxyate
C10H11NO5 相似度:50%
Heterocycles 2007 73 433-449
Spirocyclic and Fused Derivatives of Maleimide Based on Intra-and Intermolecular Reactions of Carbonyl Ylides from Diazocarbonyl Compounds
Vsevolod V. Nikolaev, Bärbel Schulze, Heinz Heimgartner, and Valerij A. Nikolaev
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
7 . Compound 3i
相似度:50%
Bioorganic & Medicinal Chemistry Letters 2006 16 2693-2698
Discovery of bitriazolyl compounds as novel antiviral candidates for combating the tobacco mosaic virus
Yi Xia, Zhijin Fan, Jianhua Yao, Quan Liao, Wei Li, Fanqi Qu, Ling Peng
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
8 . (1-Difluoromethyl-2-oxo-1,2-dihydropyridin-3-yl)acetonitrile
相似度:50%
Bioorganic & Medicinal Chemistry Letters 2010 20 2168-2173
Gang Yu, P.N. Praveen Rao, Morshed A. Chowdhury, Khaled R.A. Abdellatif, Ying Dong, Dipankar Das, Carlos A. Velazquez, Mavanur R. Suresh, Edward E. Knaus
Gang Yu, P.N. Praveen Rao, Morshed A. Chowdhury, Khaled R.A. Abdellatif, Ying Dong, Dipankar Das, Carlos A. Velazquez, Mavanur R. Suresh, Edward E. Knaus
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
9 . (1-Difluoromethyl-2-oxo-1,2-dihydropyridin-4-yl)acetic acid
C8H7F2NO3 相似度:50%
Bioorganic & Medicinal Chemistry Letters 2010 20 2168-2173
Gang Yu, P.N. Praveen Rao, Morshed A. Chowdhury, Khaled R.A. Abdellatif, Ying Dong, Dipankar Das, Carlos A. Velazquez, Mavanur R. Suresh, Edward E. Knaus
Gang Yu, P.N. Praveen Rao, Morshed A. Chowdhury, Khaled R.A. Abdellatif, Ying Dong, Dipankar Das, Carlos A. Velazquez, Mavanur R. Suresh, Edward E. Knaus 9 1 2 3 4 5 6 下一页 尾页