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304846814

金虫 (小有名气)

[求助] 求微谱数据库,谢谢

C谱数据如下:
7.730,7.774,12.741,13.617,14.103,20.667,29.323,29.653,31.662,35.940,48.187,49.721,50.222,50.690,55.907,72.151,95.803,98.052,115.234,127.179,127.763,127.836,127.971,128.049,128.103,128.880,129.330,129.526,130.424,130.474,130.572,131.150,140.388,147.563,148.742,149.438,152.443,157.152
氯仿溶解,谢谢
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Keydream

木虫 (正式写手)

建议下回采用四舍五入法保留一位小数
3楼2012-08-08 00:31:17
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Keydream

木虫 (正式写手)

【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与,应助指数 +1
304846814: 金币+15, ★★★很有帮助 2012-08-09 22:15:50
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
7.730,7.774,12.741,13.617,14.103,20.667,29.323,29.653,31.662,35.940,48.187,49.721,50.222,50.690,55.907,72.151,95.803,98.052,115.234,127.179,127.763,127.836,127.971,128.049,128.103,128.880,129.330,129.526,130.424,130.474,130.572,131.150,140.388,147.563,148.742,149.438,152.443,157.152
  
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11个化合物(查询结果仅供参考)  
--------------------------------------------------------------------------------

1 .     lotusanine B
C37H40N4O5     相似度:52.6%
Journal of Natural Products          1995          Vol 58          504-511
New Cyclopeptide Alkaloids from Zizyphus lotus
Musa Abu Zarga, Salim Sabri, Amal Al-Aboudi, M. Saleh Ajaz, Naheed Sultana, Atta-ur-Rahman
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

2 .     N1-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N4-phenyl-N1-(2-phenylethyl)-N4-[1-(2-phenylethyl)-piperidin-4-yl]butanediamide
C45H54N4O3     相似度:52.6%
Helvetica Chimica Acta          2012          95          818-824
Designing and Synthesis of Novel Amidated Fentanyl Analogs (pages 818–824)
Yaghoub Haghighatnia, Saeed Balalaie and Hamid Reza Bijanzadeh
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

3 .     3-[1-(1-oxopropan-2-ylidene)-3-phenyl-1H-inden-2-yl]phenylmethanesulfonate
C25H20O4S     相似度:50%
Heterocycles          2010          80          1125-1147
Reaction Behavior of Cumulene: Diels–Alder, Friedel–Crafts, and Pd-Catalyzed Domino Reactions
Tomohiro Asakawa, Mie Iinuma, Yuko Wakasugi, Mayumi Kuno, Takumi Furuta, Satoshi Fujii, Kiyoshi Tanaka, and Toshiyuki Kan
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

4 .     3-benzyloxycarbonyl-1,2,3,4,5,6-hexahydro-3-benzazocine
C16H23NO     相似度:50%
Heterocycles          2009          77          575-585
8-Endo-Selective Aryl Radical Cyclization Leading to 3-Benzazocines
Tsuyoshi Taniguchi, Hisaaki Zaimoku, and Hiroyuki Ishibashi
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

5 .     6-[(E)-2-(Dibutylamino)vinyl]-9-(2,3,5-tri-O-toluoyl-β-D-ribofuranosyl)purine
C44H49N5O7     相似度:50%
Bioorganic & Medicinal Chemistry          2008          16          1400-1424
Synthesis, cytostatic, and antiviral activity of novel 6-[2-(dialkylamino)ethyl]-, 6-(2-alkoxyethyl)-, 6-[2-(alkylsulfanyl)ethyl]-, and 6-[2-(dialkylamino)vinyl]purine nucleosides
Martin Kuchař, Michal Hocek, Radek Pohl, Ivan Votruba, I-hung Shih, Eric Mabery, Richard Mackman
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

6 .     5,7,3',4'-Tetra-O-benzyl-(+)-thiocatechin
C43H38O5S     相似度:50%
Molecules          2010          15          5595-5619
Enantioselctive Syntheses of Sulfur Analogues of Flavan-3-Ols
Pradeep K. Sharma, Min He, Jurjus Jurayj, Da-Ming Gou, Richard Lombardy, Leo J. Romanczy, Jr. and Hagen Schroeter
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

7 .     E-1-{2-[(RS)-1-(4-Methoxyphenyl)-2-oxo-4-phenylazetidin-3-ylidene]propionyl}-1-valyl-1-proline benzyl ester
C36H39N3O6     相似度:50%
Pharmazie          2001          56          686-690
β-Lactam derivatives as enzyme inhibitors: Derivatives of (E)-2-[(RS)-1-(4-methoxyphenyl)-2-oxo-4-phenylazetidin-3-ylidene]propionic acid
C. Venz - H.-H. Otto
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

8 .     1-(((1-(3-(2-(7-Chloroquinolin-2-yl)ethenyl)-phenyl)-3-(3-iodo-5-(3-trifluoromethyl-3H-diazirin-3-yl)phenyl)propyl) thio)methyl)cyclopropaneacetic acid
C34H28ClF3IN3O2S     相似度:50%
Bioorganic & Medicinal Chemistry          1998          6          63-72
A novel photoaffinity probe for the LTD4 receptor
Michel Gallant, Nicole Sawyer, Kathleen M. Metters, Robert J. Zamboni
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

9 .     yendolipin
    相似度:50%
Chemistry Letters          1994          23          2427-2430
A New Lipobetaine from the Red Alga Neodilsea yendoana
Ryoichi Ishida, Yoshihide Matsuo, Minoru Suzuki, Atsushi Sato and Takeshi Matsumoto
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

10 .     yendolipin
C48H78N2O5     相似度:50%
Tetrahedron          1997          53          869-876
Yendolipin, a novel lipobetaine with an inhibitory activity toward morphogenesis in a foliaceous green alga Monostroma oxyspermum
Yashihide Matsuo, Ryoichi Ishida, Takeshi Matsumoto, Masakazu Tatawaki, Minoru Suzuki
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

11 .     N1-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N1,N4-diphenyl-N4-[1-(2-phenylethyl)piperidin-4-yl]butanediamide
C43H50N4O3     相似度:50%
Helvetica Chimica Acta          2012          95          818-824
Designing and Synthesis of Novel Amidated Fentanyl Analogs (pages 818–824)
Yaghoub Haghighatnia, Saeed Balalaie and Hamid Reza Bijanzadeh
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------
2楼2012-08-08 00:30:23
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