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shuibizai@

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注册: 2012-09-19
专业: 中药学

[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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1楼 2014-05-11 11:45:35

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wangkaibo123

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专家经验: +726
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专业: 抗肿瘤药物药理
管辖: 药学

【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

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Domyallbesttohaveahappylife.

2楼2014-05-11 13:54:28

已阅回复此楼关注TA 给TA发消息送TA红花 TA的回帖

shuibizai@

新虫 (小有名气)

应助: 0 (幼儿园)
金币: 1610.5
散金: 55
帖子: 162
在线: 57.1小时
虫号: 2014797
注册: 2012-09-19
专业: 中药学

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？

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3楼2014-05-11 14:40:30

已阅回复此楼关注TA 给TA发消息送TA红花 TA的回帖