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丑小丫2009

金虫 (著名写手)

[求助] 18金币 急求 微谱数据结构

微谱数据结构:C谱数据:61.4,74.5,116.8,118.2,122.2,128.8,133.6,133.6,151.3
溶剂为:CDCl3,含氮原子可能


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wangkaibo123

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【答案】应助回帖

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感谢参与,应助指数 +1
丑小丫2009: 金币+18 2013-08-30 19:45:59
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

溶剂选项:
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123个化合物(查询结果仅供参考)
1 .     5-chloro-8-hydroxy-7-nitroquinoline
    相似度:66.6%
Journal of Medicinal Chemistry          2011          54          591-602
Identifying Chelators for Metalloprotein Inhibitors Using a Fragment-Based Approach
Jennifer A. Jacobsen, Jessica L. Fullagar, Melissa T. Miller, and Seth M. Cohen
Structure      13C NMR   碳谱模拟图
2 .     μ-(2,5-diphenylphosphino-1,4-hydroquinone)-bis-palladiumhexafluoroacetylacetonate
C40H24F12O6P2Pd2     相似度:60%
Canadian Journal of Chemistry          2008          86          976-981
Synthesis and redox properties of a phosphinesubsituted para-dioxolene and its bimetallic palladium complex
Sharon L. Caldwell, Joe B. Gilroy, Rajsapan Jain, Evan Crawford,Brian O. Patrick, and Robin G. Hicks
Structure      13C NMR   碳谱模拟图
3 .     3,5-Dibromo-1-carbomethoxyindole
C10H7NO2Br2     相似度:60%
Journal of Natural Products          2006          69          1596-1600
Synthesis of Bromoindole Alkaloids from Laurencia brongniartii
Oscar R. Surez-Castillo, Lidia Beiza-Granados, Myriam Melndez-Rodrguez,Alejandro lvarez-Hernndez, Martha S. Morales-Ros, and Pedro Joseph-Nathan
Structure      13C NMR   碳谱模拟图
4 .     2,3,5-Tribromo-1-carbomethoxyindole
C10H6NO2Br3     相似度:60%
Journal of Natural Products          2006          69          1596-1600
Synthesis of Bromoindole Alkaloids from Laurencia brongniartii
Oscar R. Surez-Castillo, Lidia Beiza-Granados, Myriam Melndez-Rodrguez,Alejandro lvarez-Hernndez, Martha S. Morales-Ros, and Pedro Joseph-Nathan
Structure      13C NMR   碳谱模拟图
5 .     compound 4e
    相似度:60%
Tetrahedron Letters          2005          46          7553-7557
Microwave-assisted synthesis of 1-aryl-1H-indazoles via one-pot two-step Cu-catalyzed intramolecular N-arylation of arylhydrazones
Chittari Pabba, Hong-Jun Wang, Susan R. Mulligan, Zhen-Jia Chen, Todd M. Stark, Brian T. Gregg
Structure      13C NMR   碳谱模拟图
6 .     3-bromo-5-hydroxy-4-methoxyphenylacetic acid
C9H9O4Br     相似度:55.5%
Journal of Natural Products          2004          67          1032-1035
Bromophenol Derivatives from the Red Alga Rhodomela confervoides
Jielu Zhao, Xiao Fan, Sujuan Wang, Shuai Li, Suqin Shang, Yongchun Yang, Nianjun Xu, Yang L, and Jiangong Shi
Structure      13C NMR   碳谱模拟图
7 .     3-bromo-5-hydroxy-4-methoxybenzoic acid
    相似度:55.5%
Journal of Natural Products          2004          67          1032-1035
Bromophenol Derivatives from the Red Alga Rhodomela confervoides
Jielu Zhao, Xiao Fan, Sujuan Wang, Shuai Li, Suqin Shang, Yongchun Yang, Nianjun Xu, Yang L, and Jiangong Shi
Structure      13C NMR   碳谱模拟图
8 .     2,4,6-trichloro-3-hydroxy-5-methoxytoluene
C8H7O2Cl3     相似度:55.5%
Journal of Natural Products          1998          61          913-921
Organochlorine Compounds from a Terrestrial Higher Plant: Structures and Origin of Chlorinated Orcinol Derivatives from Diseased Bulbs of Lilium maximowiczii
Kenji Monde, Hikari Satoh, Masao Nakamura, Mamoru Tamura, and Mitsuo Takasugi
Structure      13C NMR   碳谱模拟图
9 .     (3,4,5-Trifluorophenyl)-2,3-dichlorophenylsulfide
C12H5Cl2F3S     相似度:55.5%
Canadian Journal of Chemistry          2010          88          485-491
A novel and efficient cross-coupling of tris(fluorinated phenyl)boroxins with disulfides catalyzed by CuI/1,10-phenanthroline
Chuanming Yu, Beibei Jin, Zhenyu Liu, and Weihui Zhong
Structure      13C NMR   碳谱模拟图
10 .     3-(1H-Benzimidazol-2-yl)phenol
    相似度:55.5%
Canadian Journal of Chemistry          2008          86          1044-1051
Copper-catalyzed one-pot synthesis of benzimidazole derivatives
Hashem Sharghi, Mona Hosseini-Sarvari, and Fatemeh Moeini
Structure      13C NMR   碳谱模拟图
11 .     2,2',4,4'-Tetrachlorobenzhydryl-1H-1,2,4-triazole
C15H9N3Cl4     相似度:55.5%
Archiv der Pharmazie          2011          11          402-410
Synthesis, Antibacterial and Antifungal Activities of Bifonazole Derivatives
Salomé El Hage, Barbora Lajoie, Catherine Feuillolay, Christine Roques, and Geneviève Baziard
Structure      13C NMR   碳谱模拟图
12 .     compound 10A
    相似度:55.5%
Organic letters          2000          2          1557-1560
Synthesis of 2-Substituted-2,3- dihydro-1,4-dioxino[2,3-b]pyridine Derivatives
Mustapha Soukri, Said Lazar, Mohamed Akssira, and Gérald Guillaumet
Structure      13C NMR   碳谱模拟图
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