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341176

金虫 (正式写手)

[求助] 维普求助 结构很简单

C谱数据:重水作溶剂,加了点甲醇
  48.80, 56.01, 110.94, 126.79, 151.80, 161.34, 180.41
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wangkaibo123

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kerry

优秀版主

【答案】应助回帖

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感谢参与,应助指数 +1
341176(豆哥代发): 金币+25, 谢谢 2013-10-22 08:42:26
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16个化合物(查询结果仅供参考)
1 .     5-bromopyrrole-2-(Nmethoxymethyl)carboxamide
C7H9N2O2Br     相似度:57.1%
Journal of Natural Products          1998          61          1310-1312
New Alkaloids from the Papua New Guinean Sponge Agelas nakamurai
Tetsuo Iwagawa, Masafumi Kaneko, Hiroaki Okamura, Munehiro Nakatani, and Rob W. M. van Soest
Structure      13C NMR   碳谱模拟图
2 .     5-hydroxymethyl-2-furancarboxaldehyde
C6H6O3     相似度:57.1%
Planta Medica          1990          56          472-474
New Furans from Cirsium chiorolepis
Yue-mao Shen and Quan-zhang Mu
Structure      13C NMR   碳谱模拟图
3 .     5-hydroxymethyl furfural
    相似度:57.1%
Chinese Pharmaceutical Journal          2009          44          1375-1377
Studies on Chemical Constituents of the Euonymus alatus(Thunb.) Sieb.Ⅱ
ZHOU Xin, LIU Yun, GONG Xiao-jian, ZHAO Chao, CHEN Hua-guo
Structure      13C NMR   碳谱模拟图
4 .     p-methoxycinnamaldehyde
    相似度:50%
Chemical & Pharmaceutical Bulletin          1999          47          1569-1572
Morinins L-P, Five New Phenylpropanol Derivatives from Morina chinensis
Bao-Ning SU and Yoshihisa TAKAISHI
Structure      13C NMR   碳谱模拟图
5 .     5-Bromoindoline
    相似度:50%
Journal of Natural Products          2006          69          1596-1600
Synthesis of Bromoindole Alkaloids from Laurencia brongniartii
Oscar R. Surez-Castillo, Lidia Beiza-Granados, Myriam Melndez-Rodrguez,Alejandro lvarez-Hernndez, Martha S. Morales-Ros, and Pedro Joseph-Nathan
Structure      13C NMR   碳谱模拟图
6 .     4-(4-methoxyphenyl)-3-methyl-1,2,4-triazole
C10H11N3O     相似度:50%
Heterocycles          2005          65          1957-1962
Microwave-assisted and Efficient One-Pot Synthesis of Substituted 1,2,4-Triazoles
Daliang Li, Hongli Bao, and Tianpa You*
Structure      13C NMR   碳谱模拟图
7 .     p-methoxycinnamaldehyde
C10H10O2     相似度:50%
Chinese Traditional and Herbal Drugs          2010          41          1601-1604
Constituents from Abacopteris penangiana and their cytotoxic activity
FANG Jin-bo; CHEN Jia-chun; DUAN Hong-quan
Structure      13C NMR   碳谱模拟图
8 .     2-Trifluoromethyl-4-methoxyaniline
C8H9F3NO     相似度:50%
Tetrahedron Letters          2004          45          5131-5133
Activation and stabilization of aldimines by an ortho-trifluoromethyl substituent in direct vinylogous Mannich-type reactions
Mark Lautens, Eiji Tayama, Duy Nguyen
Structure      13C NMR   碳谱模拟图
9 .     5-Amino-2,3-dihydrophthalazine-1,4-dione
C8H7N3O2     相似度:50%
Zeitschrift für Naturforschung B          2004          59          431-438
A New Efficient Synthesis of Substituted Luminols Using Multicomponent Reactions
H. Neumann, S. Klaus, M. Klawonn, D. Strübing, S. Hübner, D. Gördes, A. J. v. Wangelin, M. Lalk, and M. Beller
Structure      13C NMR   碳谱模拟图
10 .     vanillin
C8H8O3     相似度:50%
Journal of Chinese Medicinal Materials          2012          35          1610-1614
Study on Chemical Composition of Ethylacetate Fraction from Polygonum amplexicaule var. sinense
XIANG Mei-xian, HU Ya-jing, YAN Yun-jun
Structure      13C NMR   碳谱模拟图
11 .     4-methyl-2,5-dinitroanisole
    相似度:50%
Canadian Journal of Chemistry          1987          65          1233-1240
ipso Nitration. XXIX. Nitration of substituted 4-methylanisoles and phenols
Alfred Fischer, George N. Henderson, Sumit RayMahasay
Structure      13C NMR   碳谱模拟图
12 .     3-hydroxy-4-methoxy-benzaldehyde
C8H8O3     相似度:50%
Journal of Tropical and Subtropical Botany          2012          20          596-601
Chemical Constituents from Barks of Euonymus laxiflorus Champ.ex Benth.
WANG Ying-yin, LIU Shou-bai, WANG Ha, ZHONG Hui-min
Structure      13C NMR   碳谱模拟图
13 .     N-(1'-carboxyethyl)-2-formylpyrrole
    相似度:50%
Journal of Agricultural and Food Chemistry          1998          46          3902-3911
Identification of Novel Colored Compounds Containing Pyrrole and Pyrrolinone Structures Formed by Maillard Reactions of Pentoses and Primary Amino Acids
Thomas Hofmann
Structure      13C NMR   碳谱模拟图
14 .     3,4-Dimethoxybenzonitrile
    相似度:50%
Chinese Chemical Letters          2012          23          1323-1326
An efficient and versatile synthesis of aromatic nitriles from aldehydes
Maryam Hajjami, Arash Ghorbani-Choghamarani, Mohammad Ali Zolfigol, Fatemeh Gholamian
Structure      13C NMR   碳谱模拟图
15 .     vanillin
    相似度:50%
Chinese Traditional and Herbal Drugs          2012          43          1068-1070
Chemical constituents from Solanum nienkui (Ⅰ)
WU Dan; CHEN Guang-ying; HAN Chang-ri; LIU Wen-jie; YANG Huai-zhi
Structure      13C NMR   碳谱模拟图
16 .     Vanillin
C8H8O3     相似度:50%
Journal of Medicinal Plants Research          2011          5          1685-1691
Isolation, identification and determination of methyl caffeate, ethyl caffeate and other phenolic compounds from Polygonum amplexicaule var. sinense
Meixian Xiang, Hanwen Su, Jinyue Hu and Yunjun Yan
Structure      13C NMR   碳谱模拟图
Domyallbesttohaveahappylife.
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