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伊雪纷飞

金虫 (正式写手)

[求助] 求助微谱

107.322,111.4720,111.4720,114.3637,114.6281,116.3466,120.6204,120.6204,120.9652,120.9652,122.1754,122.1754,122.4809,126.1623,131.9806,136.8038,144.6586,167.7969
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超级小钢钻

铁杆木虫 (正式写手)

【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与,应助指数 +1
伊雪纷飞: 金币+15, ★★★很有帮助 2013-12-04 21:33:09
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424个化合物(查询结果仅供参考)
1 .     Compound 4
C20H12O     相似度:68.4%
Bioorganic & Medicinal Chemistry Letters          1999          9          2181-2184
Dimethyldioxirane epoxidation of polycyclic fluoranthene hydrocarbons
Fushuang Liu, Bongsup P. Cho
Structure      13C NMR   碳谱模拟图
2 .     p-Triazinone
C19H14N5O     相似度:66.6%
Tetrahedron Letters          2005          46          1997-2000
Synthesis of bis(indole)-1,2,4-triazinones
Neil K. Garg, Brian M. Stoltz
Structure      13C NMR   碳谱模拟图
3 .     3-(1H-Indol-3-ylmethylene)-5-nitro-1,3-dihydroindol-2-one
    相似度:66.6%
Bioorganic & Medicinal Chemistry          2010          18          1482-1496
Synthesis, structure–activity relationship and crystallographic studies of 3-substituted indolin-2-one RET inhibitors
Luca Mologni, Roberta Rostagno, Stefania Brussolo, Phillip P. Knowles, Svend Kjaer, Judith Murray-Rust, Enrico Rosso, Alfonso Zambon, Leonardo Scapozza, Neil Q. McDonald, Vittorio Lucchini, Carlo Gambacorti-Passerini
Structure      13C NMR   碳谱模拟图
4 .     N3-(6-nitro-1,3-benzothiazol-2-yl)-2-(4-chloroanilino)nicotinamide
C19H12ClN5O3S     相似度:66.6%
Bioorganic & Medicinal Chemistry          2011          19          7136-7150
2-Anilinonicotinyl linked 2-aminobenzothiazoles and [1,2,4]triazolo[1,5-b] [1,2,4]benzothiadiazine conjugates as potential mitochondrial apoptotic inducers
Ahmed Kamal, Y.V.V. Srikanth, M. Naseer Ahmed Khan, Md. Ashraf, M. Kashi Reddy, Farheen Sultana, Tandeep Kaur, Gousia Chashoo, Nitasha Suri, Irum Sehar, Zahoor A. Wani, Arpita Saxena, Parduman R. Sharma, Shashi Bhushan, Dilip M. Mondhe, Ajit K. Saxena
Structure      13C NMR   碳谱模拟图
5 .     racemosin B
C20H14N2O2     相似度:65%
Fitoterapia          2013          91          15-20
Racemosins A and B, two novel bisindole alkaloids from the green alga Caulerpa racemosa
Ding-Quan Liu, Shui-Chun Mao, Hai-Yan Zhang, Xiao-Qing Yu, Mei-Tang Feng, Bin Wang, Li-Hua Feng, Yue-Wei Guo
Structure      13C NMR   碳谱模拟图
6 .     (3E)-4-[2-(3,4-dimethoxyphenyl)-1H-indol-3-yl]but-3-en-2-one
C20H19NO3     相似度:63.1%
European Journal of Organic Chemistry          2010                   920-926
Furan Ring-Opening/Indole Ring-Closure: Pictet–Spengler-Like Reaction of 2-(o-Aminophenyl)furans with Aldehydes
Alexander V. Butin, Maxim G. Uchuskin, Arkady S. Pilipenko, Fatima A. Tsiunchik, Dmitry A. Cheshkov and Igor V. Trushkov
Structure      13C NMR   碳谱模拟图
7 .     chondriamide A
    相似度:61.9%
Journal of Natural Products          1998          61          1560-1563
A New Indole Derivative from the Red Alga Chondria atropurpurea. Isolation, Structure Determination, and Anthelmintic Activity
Danilo Davyt, Walter Entz, Rafael Fernandez, Raúl Mariezcurrena, Alvaro W. Mombrú, Jenny Salda愀, Laura Domínguez, Javier Coll, and Eduardo Manta
Structure      13C NMR   碳谱模拟图
8 .     ethyl 3,3-bis(1H-indol-3-yl)acrylate
C21H18N2O2     相似度:61.9%
Russian Journal of Organic Chemistry          2008          44          1512-1516
Reaction of indoles with ethyl bromopropynoate over Al2O3 surface
O. V. Petrova, L. N. Sobenina, I. A. Ushakov and A. I. Mikhaleva
Structure      13C NMR   碳谱模拟图
9 .     4-(2,3-dihydroxyphenyl)-4,5-dihydropyrrolo[1,2-a]quinoxaline
C17H14N2O2     相似度:61.1%
Journal of Heterocyclic Chemistry          2001          38          671-674
A versatile synthesis of 4,5-dihydropyrrolo[1,2-a]quinoxalines
Rodrigo Abonia, Braulio Insuasty, Jairo Quiroga, Heinz Kolshorn and Herbert Meier
Structure      13C NMR   碳谱模拟图
10 .     4-amino-3-(1-methyl-1H-indol-3-yl-carbonyl)-1-phenyl-1H-pyrazole-5-carbonitrile
C20H15N5O     相似度:61.1%
Heterocycles          2009          78          3081-3090
Studies with 3-Oxoalkanonitriles: Synthesis and Reactivity of 3-Oxo-3-(1-methylindoloyl)propanenitrile
Haider Behbehani, Hamada Mohamed Ibrahim, and Saad Makhseed
Structure      13C NMR   碳谱模拟图
11 .     2(3'-Indolyl)-4-[3'-(6'-bromoindolyl)]thiazole
C19H12BrN3S     相似度:61.1%
Bioorganic & Medicinal Chemistry          2000          8          363-371
Syntheses and cytotoxicity evaluation of bis(indolyl)thiazole, bis(indolyl)pyrazinone and bis(indolyl)pyrazine: analogues of cytotoxic marine bis(indole) alkaloid
Biao Jiang, Xiao-Hui Gu
Structure      13C NMR   碳谱模拟图
12 .     3-[3-(N-acetyl)aminothien-2-yl)]indole
C14H12N2OS     相似度:61.1%
Heterocycles          2002          57          1831-1840
Synthesis of Some Thiophene-fused Azepino[5,4,3-cd]indoles
Basem A. Moosa, Kayed A. Abu Safieh, and Mustafa M. El-Abadelah*
Structure      13C NMR   碳谱模拟图
13 .     2-amino-N-[2-(1H-indol-3-yl)-ethyl]-benzamide
    相似度:61.1%
Bioorganic & Medicinal Chemistry          2009          17          2336-2350
Anthranilic acid based CCK1 receptor antagonists: Blocking the receptor with the same ‘words’ of the endogenous ligand
Lucia Lassiani, Michela V. Pavan, Federico Berti, George Kokotos, Theodoros Markidis, Laura Mennuni, Francesco Makovec, Antonio Varnavas
Structure      13C NMR   碳谱模拟图
14 .     3-allyl-11-methyl-2,3,6,11-tetrahydro-2,6-methano[1,3]thiazocino[8,7-b]indole-5-carbonitrile
C18H17N3S     相似度:61.1%
Tetrahedron          2012          68          9685-9693
Pyridinium salts—versatile reagents for the regioselective synthesis of functionalized thiazocino[2,3-b]indoles by tandem dinucleophilic reactions of thiooxindoles
Mostafa Kiamehr, Firouz Matloubi Moghaddam, Pavel V. Gormay, Volodymyr Semeniuchenko, Alexander Villinger, Peter Langer, Viktor O. Iaroshenko
Structure      13C NMR   碳谱模拟图
15 .     (R)-6'-debromohamacanthin B
C20H16ON4Br     相似度:60%
Journal of Natural Products          2007          70          2-8
Bisindole Alkaloids of the Topsentin and Hamacanthin Classes from a Marine Sponge Spongosorites sp.
Baoquan Bao, Qishi Sun,Xinsheng Yao, Jongki Hong, Chong-O. Lee,Hee Young Cho,and Jee H. Jung
Structure      13C NMR   碳谱模拟图
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