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lx33103310

捐助贵宾 (小有名气)

[求助] 求助微谱结构一个!

C谱如下:
59.4,111.7,122.0,122.4,129.3,129.8,132.1,135.6,138.5,143.3,158.5,167.6,169.4.
十分感谢!!
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wangkaibo123

荣誉版主 (职业作家)

kerry

优秀版主

【答案】应助回帖

感谢参与,应助指数 +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
Domyallbesttohaveahappylife.
2楼2013-11-28 20:59:54
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lx33103310

捐助贵宾 (小有名气)

引用回帖:
2楼: Originally posted by wangkaibo123 at 2013-11-28 20:59:54
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

3楼2013-11-28 23:55:38
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lifeliuyan

至尊木虫 (职业作家)

【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与,应助指数 +1
lx33103310: 金币+10, ★★★★★最佳答案, 十分感谢! 2013-11-30 12:47:12
查询结果:共查到783个化合物(查询结果仅供参考)  
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1 .     4-azido-3-bromo-2-(4-fluorophenyl)quinoline
C15H8N4FBr     相似度:69.2%
Journal of Heterocyclic Chemistry          2008          45          1343-1350
2-Aryl-4-azido-3-(bromo/iodo)quinolines as substrates for the synthesis of primary 4-amino-2,3-disubstituted quinoline derivatives
Malose J. Mphahlele and Vathiswa Mtshemla
Structure      13C NMR   碳谱模拟图

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


2 .     4-azido-3-bromo-2-(4-chlorophenyl)quinoline
C15H8N4ClBr     相似度:69.2%
Journal of Heterocyclic Chemistry          2008          45          1343-1350
2-Aryl-4-azido-3-(bromo/iodo)quinolines as substrates for the synthesis of primary 4-amino-2,3-disubstituted quinoline derivatives
Malose J. Mphahlele and Vathiswa Mtshemla
Structure      13C NMR   碳谱模拟图

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


3 .     2-Iodo-1-phenylethyl 2-(Acetylamino)benzoate
     相似度:66.6%
Helvetica Chimica Acta          2013          96          1313-1324
N-Iodosuccinimide: A Highly Effective Regioselective Reagent for Iodoesterification of Alkenes
Aleti R. Reddy, Payare L. Sangwan, Praveen K. Chinthakindi, Saleem Farooq, Vidavalur Siddaiah and Surrinder Koul
Structure      13C NMR   碳谱模拟图

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


4 .     compound 3c
     相似度:64.2%
Indian Journal of Chemistry Section B          2005          44B          2333-2337
On the regiospecificity of 3,5-disubstituted pyrazoles derived from C-acylated-β-enaminonitriles and esters
Mukherjee,A; Mishra,M; Chatterjee,A; Sarkar,M; Chowdhury,S K Dutta; Mahalanabis,Kumar K
Structure      13C NMR   碳谱模拟图

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


5 .     Dimethyl 4-Ethyl-6,8,10-trimethylheptalene-1,2-dicarboxylate
     相似度:64.2%
Helvetica Chimica Acta          2012          95          885-921
A New Alkylation Method for Heptalene-4,5-dicarboxylates and of One of Their Pseudoester Forms
Khaled Abou-Hadeed, Zoltàn A. Molnar, Pinar Göksaltık, Roland W. Kunz, Anthony Linden and Hans-Jürgen Hansen
Structure      13C NMR   碳谱模拟图

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


6 .     (Z)-Ethyl 3-phenyl-3-(4-methylphenylamino)acrylate
     相似度:64.2%
Tetrahedron          2012          68          5522-5532
Synthesis of chiral β-amino acid derivatives by asymmetric hydrosilylation with an imidazole derived organocatalyst
Simon Jones, Xianfu Li
Structure      13C NMR   碳谱模拟图

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


7 .     benzyl 3-hydroxybenzoate
C14H12O3     相似度:61.5%
Phytochemistry          2007          68          1147-1155
Effect of natural and synthetic benzyl benzoates on calmodulin
Blanca Rivero-Cruz, Isabel Rivero-Cruz, Rogelio Rodríguez-Sotres, Rachel Mata
Structure      13C NMR   碳谱模拟图

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


8 .     1-甲氧甲酰-β-咔巴啉(1-methoxycarbonyl-β-carboline)
C13H10O2N2     相似度:61.5%
China Journal of Chinese Materia Medica          2011          Vol 36,Issue 7          886-890
Study on chemical constituents of Picrasma quassioides
ZHU Chenchen, DENG Guihua, LIN Chaozhan
Structure      13C NMR   碳谱模拟图

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


9 .     2-(2-Chlorophenyl)-1H-benzimidazole
     相似度:61.5%
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

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


10 .     N-Benzoylamino(3-nitrophenyl)methyl benzamide
C21H17N3O4     相似度:61.5%
Canadian Journal of Chemistry          2011          89          555–561
Silica-supported barium chloride (SiO2–BaCl2) —Efficient and heterogeneous catalyst for the environmentally friendly preparation of N, N'-alkylidene bisamides under solvent-free conditions
Mohammad Reza Mohammad Shafiee
Structure      13C NMR   碳谱模拟图

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


11 .     compound 2c
C15H10ClNO2     相似度:61.5%
Journal of Heterocyclic Chemistry          2004          41          375-379
Synthesis,NMR spectra and X-ray data of chloro and dichloro derivatives of 3-hydroxy-2-phenylquinolin-4(1H)-ones and their cytostatic activity
Pavel Hradil,Petr Krejčí,Jan Hlaváč,Iveta Wiedermannová,Antonín Lyčka and Valerio Bertolasi
Structure      13C NMR   碳谱模拟图

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


12 .     3,6,8-tribromoharmane
C12H7N2Br3     相似度:61.5%
Journal of Heterocyclic Chemistry          2001          38          1087-1095
Synthesis and isolation of bromo-β-carbolines obtained by bromination of β-carboline alkaloids
María A. Ponce and Rosa Erra-Balsells
Structure      13C NMR   碳谱模拟图

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


13 .     methyl-5-(9-anthryl)-(2E-4Z)-2,4-pentadienoate
     相似度:61.5%
Indian Journal of Chemistry Section B          2007          46B          1833-1847
Wavelength dependent regioselective E→Z isomerization of 9-anthryldiene derivatives
Reddy,Majjigapu Janaki Ram; Kumar,Perepogu Arun; Srinivas,Uppalanchi; Reddy,Vummadi Venkat; Reddy,Maruthi Janaki Ram; Rao,G Venugopal; Rao,Vaidya Jayathirtha
Structure      13C NMR   碳谱模拟图

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


14 .     methyl-5-(9-anthryl)-(2Z-4E)-2,4-pentadienoate
     相似度:61.5%
Indian Journal of Chemistry Section B          2007          46B          1833-1847
Wavelength dependent regioselective E→Z isomerization of 9-anthryldiene derivatives
Reddy,Majjigapu Janaki Ram; Kumar,Perepogu Arun; Srinivas,Uppalanchi; Reddy,Vummadi Venkat; Reddy,Maruthi Janaki Ram; Rao,G Venugopal; Rao,Vaidya Jayathirtha
Structure      13C NMR   碳谱模拟图

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


15 .     compound 1g
     相似度:61.5%
Heterocycles          2009          78          425-433
NMR Studies of 2-Aryl Derivatives of Benzimidazole, Benzimidazolium Ion, and Benzimidazoline
Chang Kiu Lee and In-Sook Han Lee
Structure      13C NMR   碳谱模拟图

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


16 .     2-(2,4-dichlorophenyl)-1H-benzimidazole
C13H8N2Cl2     相似度:61.5%
Heterocycles          2008          75          415-418
Improved Convenient and Environmentally Benign Synthesis of Biological Active Benzimidazoles Using Activated Carbon and Molecular Oxygen
Yoshinobu Tagawa, Kenji Yamagata, and Kunihiro Sumoto
Structure      13C NMR   碳谱模拟图

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


17 .     2-(2-chlorophenyl)benzimidazole
     相似度:61.5%
Heterocycles          2004          63          41-54
Indium-mediated Reductive Inter-molecular Coupling Reaction of 2-Nitroaniline with Aromatic Aldehydes to Benzimidazoles
Byeong Hyo Kim,* Rongbi Han, Ji Sook Kim, Young Moo Jun, Woonphil Baik, and Byung Min Lee
Structure      13C NMR   碳谱模拟图

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


18 .     1-(m-chlorophenyl)-4-methyl-6-phenyl-2[1H]-pyrimidinethione
C17H13N2ClS     相似度:61.5%
Heterocycles          2003          60          2749-2760
Synthesis of 1,4,6-Trisubstituted 2[1H]-Pyrimidineselenones
Alicja Zylewska,* Waldemar Tejchman, Maria J. Korohoda, and Marek Zylewski
Structure      13C NMR   碳谱模拟图

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


19 .     4-(1H-Indazol-3-yl)benzoic acid
C15H12N2O2     相似度:61.5%
Bioorganic & Medicinal Chemistry          2008          16          1262-1278
Synthesis and antiplatelet activity of ethyl 4-(1-benzyl-1H-indazol-3-yl)benzoate (YD-3) derivatives
Hua-Sin Chen, Sheng-Chu Kuo, Che-Ming Teng, Fang-Yu Lee, Jih-Pyang Wang, Yu-Chun Lee, Chiung-Wen Kuo, Ching-Che Huang, Chin-Chung Wu, Li-Jiau Huang
Structure      13C NMR   碳谱模拟图

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


20 .     Ethyl-2-(bis[1]benzothieno[3,2-b:2',3'-e]pyridin-6-yl)acetat
C21H15NO2S2     相似度:61.5%
Pharmazie          2004          59          673-675
Bisbenzothieno[3,2-b: 2',3'-e]pyridine
K. Görlitzer, and H. Meyer
Structure      13C NMR   碳谱模拟图
4楼2013-11-29 07:59:46
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