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shuibizai@

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[求助] 急急急!核磁C谱求助 已有1人参与

丙酮溶解
13C谱化学位移由小到大:29.341,29.496,29.649,29.804,29.958,30.111,30.265,56.696,108.238,121.504,141.588,148.346,167.440,206.067
56.696,108.238,峰高较高,约是其它峰高的3倍左右
206.067,这个是溶剂丙酮羰基峰吧
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wangkaibo123

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kerry

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【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

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143个化合物(查询结果仅供参考)
1 .     3-(4-decyl-1H-1,2,3-triazol-1yl)dihydrofuran-2(3H)-one
C16H27N3O2     相似度:62.5%
Bioorganic & Medicinal Chemistry          2012          20          4737-4743
Synthesis and evaluation of the quorum sensing inhibitory effect of substituted triazolyldihydrofuranones
Gilles Brackman, Martijn Risseeuw, Shari Celen, Paul Cos, Louis Maes, Hans J. Nelis, Serge Van Calenbergh, Tom Coenye
Structure      13C NMR   碳谱模拟图
2 .     2-(dec-9-en-1-yl)-1H-benzimidazole
C17H24N2     相似度:57.1%
Helvetica Chimica Acta          2011          94          1860-1874
Boric Acid-Catalyzed Direct Condensation of Carboxylic Acids with Benzene-1,2-diamine into Benzimidazoles
Nenad Maraš and Marijan Kočevar
Structure      13C NMR   碳谱模拟图
3 .     3-(4-octyl-1H-1,2,3-triazol-1yl)dihydrofuran-2(3H)-one
C14H23N3O2     相似度:57.1%
Bioorganic & Medicinal Chemistry          2012          20          4737-4743
Synthesis and evaluation of the quorum sensing inhibitory effect of substituted triazolyldihydrofuranones
Gilles Brackman, Martijn Risseeuw, Shari Celen, Paul Cos, Louis Maes, Hans J. Nelis, Serge Van Calenbergh, Tom Coenye
Structure      13C NMR   碳谱模拟图
4 .     secolincomolide A
C18H32O4     相似度:56.2%
Planta Medica          2002          68          142-145
Cytotoxic Butanolides and Secobutanolides from the Stem Wood of Formosan Lindera communis
Ian-Lih Tsai,Chao-Hui Hung ,Chang-Yih Duh,Ih-Sheng Chen
Structure      13C NMR   碳谱模拟图
5 .     isoinderanolide E methyl ester
    相似度:56.2%
Phytochemistry          1995          40          1175-1181
Linderanolides and isolinderanolides, ten butanolides from Lindera glauca
Katsura Seki, Takayuki Sasaki, Satoshi Wano, Kazuo Haga, Ryohei Kaneko
Structure      13C NMR   碳谱模拟图
6 .     4-Hexadecyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
C24H39N3O2S2     相似度:56.2%
Bioorganic & Medicinal Chemistry          2011          19          2046-2054
Development of sulfonamide AKT PH domain inhibitors
Ali Md. Ahad, Song Zuohe, Lei Du-Cuny, Sylvestor A. Moses, Li Li Zhou, Shuxing Zhang, Garth Powis,Emmanuelle J. Meuillet, Eugene A. Mash
Structure      13C NMR   碳谱模拟图
7 .     ethyl 2-methylenetridecanoate
C16H30O2     相似度:56.2%
European Journal of Organic Chemistry          2011                   7097-7106
Asymmetric Synthesis of (+)-Tanikolide and the β-Methyl-Substituted Analogues of (+)-Tanikolide and (–)-Malyngolide
Robert Doran, Lesley Duggan, Surrendra Singh, Colm D. Duffy and Patrick J. Guiry
Structure      13C NMR   碳谱模拟图
8 .     ethyl2-(4-dodecyl-1H-1,2,3-triazol-1-yl)acetate
C18H33N3O2     相似度:56.2%
Bioorganic & Medicinal Chemistry          2012          20          4727-4736
Synthesis and biological evaluation of new N-acyl-homoserine-lactone analogues, based on triazole and tetrazole scaffolds, acting as LuxR-dependent quorum sensing modulators
Mohamad Sabbah, Fanny Fontaine, Lucie Grand, Mohamed Boukraa, Mohamed L. Efrit, Alain Doutheau, Laurent Soulère, Yves Queneau
Structure      13C NMR   碳谱模拟图
9 .     ethyl2-(1-dodecyl-1H-1,2,3-triazol-4-yl)acetate
C18H33N3O2     相似度:56.2%
Bioorganic & Medicinal Chemistry          2012          20          4727-4736
Synthesis and biological evaluation of new N-acyl-homoserine-lactone analogues, based on triazole and tetrazole scaffolds, acting as LuxR-dependent quorum sensing modulators
Mohamad Sabbah, Fanny Fontaine, Lucie Grand, Mohamed Boukraa, Mohamed L. Efrit, Alain Doutheau, Laurent Soulère, Yves Queneau
Structure      13C NMR   碳谱模拟图
10 .     secoaggregatalactone A
C17H30O4     相似度:55.5%
Planta Medica          2007          73          1548-1553
Secoaggregatalactone-A from Lindera aggregata Induces Apoptosis in Human Hepatoma Hep G2 Cells
Chien-Tsong Lin,Fang-Hua Chu,Shang-Tzen Chang,Pin-Ju Chueh,Yu-Chang Su,King-Tsuen Wu,Sheng-Yang Wang
Structure      13C NMR   碳谱模拟图
11 .     反,反-2,4-N -异丁基十五碳二烯酰胺
    相似度:55.5%
Acta Botanica Sinica          1994          36          817-820
Amides from the Fruits of Phellodendron chinense
Su Rong-hui, Kim Mujo, -N akajima Shuhei Takahashi Shozo and Liu Meng-ying
Structure      13C NMR   碳谱模拟图
12 .     3-(4-dodecyl-1H-1,2,3-triazol-1yl)dihydrofuran-2(3H)-one
C18H31N3O2     相似度:55.5%
Bioorganic & Medicinal Chemistry          2012          20          4737-4743
Synthesis and evaluation of the quorum sensing inhibitory effect of substituted triazolyldihydrofuranones
Gilles Brackman, Martijn Risseeuw, Shari Celen, Paul Cos, Louis Maes, Hans J. Nelis, Serge Van Calenbergh, Tom Coenye
Structure      13C NMR   碳谱模拟图
13 .     persealide
C20H36O4     相似度:55.5%
Pharmaceutical Biology          1996          34          70-72
Persealide: A Novel, Biologically Active Component from the Bark of Persea americana (Lauraceae)
Ye Q., Gu Z-m., Zeng L., Zhao G-x., Chang C-j., McLaughlin J.L., Sastrodihardjo S.
Structure      13C NMR   碳谱模拟图
14 .     Ethyl (E)-14-methoxymethoxytetradec-2-enoate
C18H34O4     相似度:55.5%
Bioorganic & Medicinal Chemistry          2004          12          3203-3214
Structural requirements of dictyopyrones isolated from Dictyostelium spp. in the regulation of Dictyostelium development and in anti-leukemic activity
Haruhisa Kikuchi, Kazunori Sasaki, Jun'ichi Sekiya, Yasuo Maeda, Aiko Amagai, Yuzuru Kubohara, Yoshiteru Oshima
Structure      13C NMR   碳谱模拟图
15 .     methyl 2-methylene-12-tridecenoate
C15H26O2     相似度:53.3%
Heterocycles          2008          76          1381-1399
Diastereoselective Nucleophilic Cyclopropanation of 1, 2-Diketones and α-Ketoimines with Bis(iodozincio)methane
Kenichi Nomura, Keisuke Asano, Takuya Kurahashi, and Seijiro Matsubara
Structure      13C NMR   碳谱模拟图
16 .     Compound 8
C19H34NO3S     相似度:53.3%
Bioorganic & Medicinal Chemistry Letters          2009          19          1726-1728
Synthesis and biological evaluation on novel analogs of 9-methylstreptimidone, an inhibitor of NF-κB
Yuichi Ishikawa, Miyuki Tachibana, Chino Matsui, Rika Obata, Kazuo Umezawa, Shigeru Nishiyama
Structure      13C NMR   碳谱模拟图
17 .     ethyl2-(1-dodecyl-1H-tetrazol-5-yl)acetate
C17H32N4O2     相似度:53.3%
Bioorganic & Medicinal Chemistry          2012          20          4727-4736
Synthesis and biological evaluation of new N-acyl-homoserine-lactone analogues, based on triazole and tetrazole scaffolds, acting as LuxR-dependent quorum sensing modulators
Mohamad Sabbah, Fanny Fontaine, Lucie Grand, Mohamed Boukraa, Mohamed L. Efrit, Alain Doutheau, Laurent Soulère, Yves Queneau
Structure      13C NMR   碳谱模拟图
18 .     methyl (2E)-2-(1-hydroxy-2-oxopropyl)eicos-2-enoate
C24H44O4     相似度:52.9%
Helvetica Chimica Acta          2002          Vol. 85          1909
Chemical and Cytotoxic Constituents from the Stem of Machilus zuihoensis
Ming-Jen Chenga), Bolleddula Jayaprakasama), Tsutomu Ishikawab), Hiroko Sekic), Ian-Lih Tsaia),Jeh-Jeng Wangd), and Ih-Sheng Chen
Structure      13C NMR   碳谱模拟图
19 .     4-Octadecyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
C26H43N3O2S2     相似度:52.9%
Bioorganic & Medicinal Chemistry          2011          19          2046-2054
Development of sulfonamide AKT PH domain inhibitors
Ali Md. Ahad, Song Zuohe, Lei Du-Cuny, Sylvestor A. Moses, Li Li Zhou, Shuxing Zhang, Garth Powis,Emmanuelle J. Meuillet, Eugene A. Mash
Structure      13C NMR   碳谱模拟图
20 .     4,7-bis(4-dodecylthiophen-2-yl)-5,6-dinitrobenzo[c][1,2,5]thiadiazole
    相似度:52.9%
Bioorganic & Medicinal Chemistry          2013          21          7735-7741
A novel nitro-substituted benzothiadiazole as fluorescent probe for tumor cells under hypoxic condition
Qian Jiang, Zhanyuan Zhang, Jiao Lu, Yan Huang, Zhiyun Lu, Yanfei Tan, Qing Jiang
Structure      13C NMR   碳谱模拟图
Domyallbesttohaveahappylife.
2楼2014-05-11 13:54:28
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shuibizai@

新虫 (小有名气)

引用回帖:
2楼: Originally posted by wangkaibo123 at 2014-05-11 13:54:28
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 ...

您好,谢谢您的回帖
但是56.696,108.238在碳谱上是特别明显的两个峰,而您给的化学位移参考值都没有这两个附近的呢?
3楼2014-05-11 14:40:30
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wangkaibo123

荣誉版主 (职业作家)

kerry

优秀版主

引用回帖:
3楼: Originally posted by shuibizai@ at 2014-05-11 14:40:30
您好,谢谢您的回帖
但是56.696,108.238在碳谱上是特别明显的两个峰,而您给的化学位移参考值都没有这两个附近的呢?...

相似度就比较低 就不一定能对上啊 都对上相似度就高了
Domyallbesttohaveahappylife.
4楼2014-05-11 19:09:10
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