24小时热门版块排行榜    

查看: 283  |  回复: 4
当前只显示满足指定条件的回帖,点击这里查看本话题的所有回帖

yangjh9988

银虫 (正式写手)

[求助] 微谱求助 已有2人参与

微谱求助
43.35,67.38,99.99,109.51,110.87,114.17,116.38,118.78,119.91,121.69,128.56,128.70,135.08,137.95,140.20,147.78,148.44,162.74,206.88
溶剂:丙酮
相似度:大于等于50%
非常感谢!
回复此楼
Sometimeswelacksomething.Oftenit'scourage.
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

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
yangjh9988: 金币+12, ★★★很有帮助 2014-04-29 16:28:31
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349个化合物(查询结果仅供参考)
1 .     palmarumycin JC2
C20H14O5     相似度:75%
Phytochemistry          2004          65          2387-2390
Deoxypreussomerins from Jatropha curcas: are they also plant metabolites?
N. Ravindranath, M. Ravinder Reddy, G. Mahender, R. Ramu, K. Ravi Kumar,Biswanath Das
Structure      13C NMR   碳谱模拟图
2 .     palmarumycin BG1
C20H14O5     相似度:65%
Chinese Traditional and Herbal Drugs          2013          44          2208-2212
Chemical constituents from stems of Ficus auriculata
SHAO Tai-ming, SONG Xiao-ping, CHEN Guang-ying, HAN Chang-ri, ZHENG Cai-juan, YAO Guo-gui
Structure      13C NMR   碳谱模拟图
3 .     2-(Benzyloxy)-6-(4-(trifluoromethyl)phenyl)pyridine
C19H14F3NO     相似度:63.1%
Tetrahedron          2012          68          1351-1358
Palladium-catalyzed Suzuki–Miyaura cross-coupling reaction of potassium 2-pyridyl trifluoroborate with aryl (heteroaryl) halides
Wei Ren, Jingya Li, Dapeng Zou, Yangjie Wu, Yusheng Wu
Structure      13C NMR   碳谱模拟图
4 .     2-(2-methoxyphenylamino)-6-(3-acetamidophenyl)pyrazine
C19H18N4O2     相似度:63.1%
Journal of Medicinal Chemistry          2006          49          407-416
Novel Inhibitors of B-RAF Based on a Disubstituted Pyrazine Scaffold. Generation of a Nanomolar Lead
Ion Niculescu-Duvaz, Esteban Roman, Steven R. Whittaker, Frank Friedlos, Ruth Kirk, Ian J. Scanlon, Lawrence C. Davies, Dan Niculescu-Duvaz, Richard Marais, and Caroline J. Springer
Structure      13C NMR   碳谱模拟图
5 .     2-(3-chloro-4-fluorobenzylamino)-6-(3-acetamidophenyl)pyrazine
C19H16ClFN4O     相似度:63.1%
Journal of Medicinal Chemistry          2006          49          407-416
Novel Inhibitors of B-RAF Based on a Disubstituted Pyrazine Scaffold. Generation of a Nanomolar Lead
Ion Niculescu-Duvaz, Esteban Roman, Steven R. Whittaker, Frank Friedlos, Ruth Kirk, Ian J. Scanlon, Lawrence C. Davies, Dan Niculescu-Duvaz, Richard Marais, and Caroline J. Springer
Structure      13C NMR   碳谱模拟图
6 .     palmarumycin CP1
C20H12O4     相似度:63.1%
European Journal of Organic Chemistry          1994          1994          1093-1097
Biologically Active Metabolites from Fungi, 4. Palmarumycins CP1–CP4 from Coniothyrium palmarum: Isolation, Structure Elucidation, and Biological Activity
Karsten Krohn, Andreas Michel, Ulrich Flörke, Hans-Jürgen Aust, Siegfried Draeger and Barbara Schulz
Structure      13C NMR   碳谱模拟图
7 .     3,3'-[Methylenebis(4,1-phenylenenitrilo)]bis[1,3-dihydro]-2H-indol-2-one
    相似度:60%
Molecules          2006          11          59-63
Synthesis of Some New bis-Schiff Bases of Isatin and 5-Fluoroisatin in a Water Suspension Medium
A. A. Jarrahpour and D. Khalili
Structure      13C NMR   碳谱模拟图
8 .     3-(2'-benzothia-zolyl)-2,3-dihydro-2-(4-methylphenyl)-4(1H)-quinazolinone
C22H17N3OS     相似度:60%
Journal of Heterocyclic Chemistry          2008          45          1629-1632
Synthesis of a novel class of 3-(2'-benzothiazolyl)-2,3-dihydroquinazolin-4(1H)-ones under solvent-free and catalyst-free conditions
Ahmad Shaabani,Abbas Rahmati and Jafar Moghimirad
Structure      13C NMR   碳谱模拟图
9 .     1-(3-Fluorophenyl)-5-[(4-methylbenzyl)amino]-3-(N-methylpyrrol-3-yl)-1H-pyrazole
C22H21FN4     相似度:60%
European Journal of Organic Chemistry          2012                   967-974
Highly Regioselective One-Pot, Three-Component Synthesis of 1-Aryl-3,4-Substituted/Annulated-5-(Cycloamino)/(Alkylamino)pyrazoles from β-Oxodithioesters
Ganesh C. Nandi, Maya S. Singh, Hiriyakkanavar Ila and Hiriyakkanavar Junjappa
Structure      13C NMR   碳谱模拟图
10 .     (Z)-1-benzyl-3-(2-methoxyphenylimino)indolin-2-one
C22H18N2O2     相似度:60%
Tetrahedron          2012          68          3649-3653
Facile and highly diastereoselective synthesis of 3-aminooxindoles via AgOAc-catalyzed vinylogous Mannich reaction
Yu-Hua Shi, Zheng Wang, Ying Shi, Wei-Ping Deng
Structure      13C NMR   碳谱模拟图
11 .     2-(3,4-methylenedioxyphenylamino)-6-(3-acetamidophenyl)pyrazine
C19H16N4O3     相似度:60%
Journal of Medicinal Chemistry          2006          49          407-416
Novel Inhibitors of B-RAF Based on a Disubstituted Pyrazine Scaffold. Generation of a Nanomolar Lead
Ion Niculescu-Duvaz, Esteban Roman, Steven R. Whittaker, Frank Friedlos, Ruth Kirk, Ian J. Scanlon, Lawrence C. Davies, Dan Niculescu-Duvaz, Richard Marais, and Caroline J. Springer
Structure      13C NMR   碳谱模拟图
12 .     spiropreussione A
C19H12O5     相似度:57.8%
Journal of Natural Products          2009          72          1712-1715
Spirobisnaphthalene Analogues from the Endophytic Fungus Preussia sp.
Xiaomei Chen, Qiyuan Shi, Geng Lin, Shunxing Guo, and Junshan Yang
Structure      13C NMR   碳谱模拟图
13 .     3,14-DIHYDRORUTECARPINE
C18H15N3O     相似度:57.8%
Chemistry of Natural Compounds          1997          33          221-267
QUINAZOLINE ALKALOIDS IN NATURE
A. L. D'yakonov and M. V. Telezhenetskaya
Structure      13C NMR   碳谱模拟图
14 .     N-((1H-Indol-5-yl)methyl)-2,3-dihydroxybenzamide
C16H14N2O3     相似度:57.8%
Bioorganic & Medicinal Chemistry          2011          19          4935-4952
Design of HIV-1 integrase inhibitors targeting the catalytic domain as well as its interaction with LEDGF/p75: A scaffold hopping approach using salicylate and catechol groups
Xing Fan, Feng-Hua Zhang, Rasha I. Al-Safi, Li-Fan Zeng, Yumna Shabaik, Bikash Debnath, Tino W. Sanchez, Srinivas Odde, Nouri Neamati, Ya-Qiu Long
Structure      13C NMR   碳谱模拟图
15 .     4-[2-(4-dimethylaminophenyl)imidazo[4,5-b]indol-3(4H)-yl]benzene-sulfonamide
C23H21N5O2S     相似度:57.8%
Chemical & Pharmaceutical Bulletin          2010          58          375-380
Microwave-Assisted, Solvent-Free and Parallel Synthesis of Some Novel Substituted Imidazoles of Biological Interest
Gyanendra Kumar Sharma and Devender Pathak
Structure      13C NMR   碳谱模拟图
16 .     3-(2'-benzothiazolyl)-2,3-dihydro-2-(phenyl)-quinazolin-4(1H)-one
C21H15N3OS     相似度:57.8%
Journal of Heterocyclic Chemistry          2008          45          1629-1632
Synthesis of a novel class of 3-(2'-benzothiazolyl)-2,3-dihydroquinazolin-4(1H)-ones under solvent-free and catalyst-free conditions
Ahmad Shaabani,Abbas Rahmati and Jafar Moghimirad
Structure      13C NMR   碳谱模拟图
17 .     3-(2'-benzothiazolyl)-2,3-dihydro-2-(4-bromophenyl)-quinazolin-4(1H)-one
C21H14BrN3OS     相似度:57.8%
Journal of Heterocyclic Chemistry          2008          45          1629-1632
Synthesis of a novel class of 3-(2'-benzothiazolyl)-2,3-dihydroquinazolin-4(1H)-ones under solvent-free and catalyst-free conditions
Ahmad Shaabani,Abbas Rahmati and Jafar Moghimirad
Structure      13C NMR   碳谱模拟
Domyallbesttohaveahappylife.
3楼2014-04-29 15:35:24
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖
查看全部 5 个回答

audreygc

铁杆木虫 (正式写手)

【答案】应助回帖

感谢参与,应助指数 +1
查询结果:共查到5个化合物(查询结果仅供参考)  
--------------------------------------------------------------------------------





1 .     N-trans-feruloyloctopamine
    相似度:52.6%
Phytochemistry          2005          66          2468-2473
Characterization of cross-linked hydroxycinnamic acid amides isolated from potato common scab lesions
Russell R. King , Larry A. Calhoun
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图

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




2 .     16,19-epoxy-△14-vincanol
C19H20N2O     相似度:52.6%
Phytochemistry          2012          83          116-124
Alkaloids from Melodinus yunnanensis
Xiang-Hai Cai, Yan Li, Ya-Ping Liu, Xiao-Ning Li, Mei-Fen Bao, Xiao-Dong Luo
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图

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




3 .     N-反式阿魏酰基酪胺
    相似度:52.6%
China Journal of Chinese Materia Medica          2013          38          1004-1007
Chemical constituents from Litsea greenmaniana
JIANG Ming, LIN Sheng, GUO Qing-lan, JIANG Zhi-bo, WANG Su-juan, YANG Yong-chun, LIN Peng-cheng
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图

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




4 .     (E)-1,5-Bis(4-hydroxy-3-methoxyphenyl)pent-4-ene-1,3-dione
C19H18O6     相似度:52.6%
Bioorganic & Medicinal Chemistry          2013          21          5510-5517
Synthesis and tubulin-binding properties of non-symmetrical click C5-curcuminoids
Antonio Caldarelli, Eleonora Penucchini, Diego Caprioglio, Armando A. Genazzani, Alberto Minassi
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图

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




5 .     Compound 26b
C24H22N3O5     相似度:50%
Bioorganic & Medicinal Chemistry Letters          2010          20          3930-3935
A rapid synthesis of lavendustin-mimetic small molecules by click fragment assembly
Jieun Yoon, Jae-Sang Ryu
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图

» 本帖已获得的红花(最新10朵)

2楼2014-04-29 15:34:04
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

yangjh9988

银虫 (正式写手)

对不起,刚才最后一个数据是203.54,不是206.88
微谱求助
43.35,67.38,99.99,109.51,110.87,114.17,116.38,118.78,119.91,121.69,128.56,128.70,135.08,137.95,140.20,147.78,148.44,162.74,206.88
溶剂:丙酮
相似度:大于等于50%
非常感谢!
Sometimeswelacksomething.Oftenit'scourage.
4楼2014-04-29 15:35:30
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

yangjh9988

银虫 (正式写手)

送红花一朵
引用回帖:
2楼: Originally posted by audreygc at 2014-04-29 15:34:04
查询结果:共查到5个化合物(查询结果仅供参考)  
--------------------------------------------------------------------------------





1 .     N-trans-feruloyloctopamine
    相似度:52.6%
Phyt ...

非常感谢
Sometimeswelacksomething.Oftenit'scourage.
5楼2014-04-29 16:29:15
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖
信息提示
请填处理意见