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玉剑蓝

木虫 (正式写手)

[求助] 20金币微谱求助一结构

9.9,47.0,102.3,106.6,107.0,114.5,118.3,137.3,139.9,141.0,161.6

NF2-009
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玉剑蓝

木虫 (正式写手)

引用回帖:
3楼: Originally posted by TDYHUST at 2013-07-31 08:00:52
怎么查询的呀?学习一下  ...

数据库上都有说明的 只要你们学校有那个数据库就好办
4楼2013-08-04 13:11:59
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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
玉剑蓝: 金币+20, ★★★★★最佳答案 2013-07-31 23:14:53
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8个化合物(查询结果仅供参考)
1 .     compound 26
C13H16O4     相似度:54.5%
Journal of the American Chemical Society          2000          122          6160-6168
A Fully Synthetic Route to the Neurotrophic Illicinones:  Syntheses of Tricycloillicinone and Bicycloillicinone Aldehyde
Thomas R. R. Pettus, Masayuki Inoue, Xiao-Tao Chen, and Samuel J. Danishefsky
Structure      13C NMR   碳谱模拟图
2 .     6-Benzylfuro[2,3-b]pyrrole-5-carboxyhydrazide
C14H13N3O2     相似度:50%
Molecules          1997          2          69-79
Synthesis and Reactions of Furo[2, 3-b]pyrroles
Alzbeta Krutosikova, C. A. Ramsden, Miloslava Dandarova and Antonin Lycka
Structure      13C NMR   碳谱模拟图
3 .     6-[2-(4'-Fluorophenyl)-1-propenyl]-5-methylpyrimidin-2,4-dione
C14H13F2N2O2     相似度:50%
Molecules          2009          14          4866-4879
Synthesis, Structural Studies and Antitumoral Evaluation of C-6 Alkyl and Alkenyl Side Chain Pyrimidine Derivatives S
Svjetlana Krištafor, Tatjana Gazivoda Kraljević, Damjan Makuc, Janez Plavec, Lidija Šuman, Marijeta Kralj and Silvana Raić-Malić
Structure      13C NMR   碳谱模拟图
4 .     (E)-3,3',5'-Trihydroxystilbene
C14H12O3     相似度:50%
Bioorganic & Medicinal Chemistry          2011          19          5155-5166
Synthesis and antimicrobial activity of (E) stilbene derivatives
Sabrina Albert, Ralf Horbach, Holger B. Deising, Bianka Siewert, René Csuk
Structure      13C NMR   碳谱模拟图
5 .     7-methyl-5-phenyl-3,3a,4,5-tetrahydroisoxazolo-[3,4-d]pyridazine
C12H13N3O     相似度:50%
Indian Journal of Chemistry          2010          49B          1282-1289
Synthesis and biological screening of 7-alkyl-3,3a,4,5-tetrahydroisoxazolo[3,4-d]pyridazines and 3-chloromethyl-7-methyl-3a,4-dihydro-3H-isoxa-zo-lo[3,4-d][1,2]oxazine
Tahira Naqvi,Kamal K Kapoor & Rattan Lal Sharma*
Structure      13C NMR   碳谱模拟图
6 .     (2E)-3-(5-hydroxy-4-oxo-4H-chromen-3-yl)-2-propenenitrile
C12H7NO3     相似度:50%
Heterocycles          2007          71          1327-1345
Domino Inverse Electron Demand Diels-Alder Reactions of Chromones with Ethyl Vinyl Ether
Jorge Heredia-Moya, Karsten Krohn, Ulrich Flörke, Hernán Pessoa-Mahana, Boris Weiss-López, Ana Estévez-Braun, and Ramiro Araya-Maturana
Structure      13C NMR   碳谱模拟图
7 .     7-bromo-5-(propen-2-yl)quinolin-2(1H)-one
C12H10BrNO     相似度:50%
Bioorganic & Medicinal Chemistry          2010          18          7132-7143
Synthesis and biological activities of new di- and trimeric quinoline derivatives
Sidonie Broch, Hélène Hénon, Anne-Laure Debaud, Marie-Laure Fogeron, Nathalie Bonnefoy-Bérard, Fabrice Anizon, Pascale Moreau
Structure      13C NMR   碳谱模拟图
8 .     9-fluoro-6,11-dihydrodibenzo[c,f][1,2,5]thiadiazepine-5,5-dioxide
C12H9N2O2SF     相似度:50%
Molecules          2013          18          894-913
Dibenzo[1,2,5]thiadiazepines Are Non-Competitive GABAA Receptor Antagonists
Juan F. Ramírez-Martínez, Rodolfo González-Chávez, Raquel Guerrero-Alba, Paul E. Reyes-Gutiérrez, Roberto Martínez, Marcela Miranda-Morales, Rosa Espinosa-Luna, Marco M. González-Chávez and Carlos Barajas-López
Structure      13C NMR   碳谱模拟图
Domyallbesttohaveahappylife.
2楼2013-07-30 22:22:42
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TDYHUST

铜虫 (小有名气)

引用回帖:
2楼: Originally posted by wangkaibo123 at 2013-07-30 22:22:42
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 ...

怎么查询的呀?学习一下  
3楼2013-07-31 08:00:52
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TDYHUST

铜虫 (小有名气)

引用回帖:
4楼: Originally posted by 玉剑蓝 at 2013-08-04 13:11:59
数据库上都有说明的 只要你们学校有那个数据库就好办...

什么数据库呢?
5楼2013-08-05 09:39:28
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