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追索晨曦

新虫 (初入文坛)

[求助] 微谱求助,急求!!各位帮忙看下,谢谢了啊~

化合物1氘代氯仿溶剂,C谱数据如下:
14.46,18.37,20.68,23.74,30.76,58.32,61.55
化合物2氘代氯仿溶剂,C谱数据如下:
14.44,18.36,20.86,28.73,30.75,42.01,58.35,61.55,68.06,115.62,120.53,146.13
化合物3氘代氯仿溶剂,C谱数据如下:
29.85,114.33,142.53,159.51,163.57,185.40,213.59

三个化合物的微谱数据 谢谢帮助了!!
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yaolan123

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【答案】应助回帖

感谢参与,应助指数 +1
化合物1
查询结果:共查到4个化合物(查询结果仅供参考)  
--------------------------------------------------------------------------------

1 .     N,N,N-tributyl-N-propanesulfonic acid ammonium hydrogen sulfate
    相似度:71.4%
Journal of Heterocyclic Chemistry          2010          47          63-67
Synthesis of 4H-benzopyrans catalyzed by acyclic acidic ionic liquids in aqueous media
Dong Fang, Hua-Bin Zhang and Zu-Liang Liu
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

2 .     N,N,N-tributyl-N-propanesulfonic acid ammonium hydrogen sulfate
    相似度:71.4%
Journal of Heterocyclic Chemistry          2010          47          509-512
Synthesis of 14-aryl-14H-dibenzo[a,j]xanthenes catalyzed by acyclic acidic ionic liquids
Dong Fang and Zu-Liang Liu
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

3 .     diethyl tetrahydropyran-2,2-dicarboxylate
    相似度:62.5%
Organic Magnetic Resonance          1983          21          94-107
Carbon-13 NMR spectra of saturated heterocycles: XI—Tetrahydropyrans (oxanes)
Ernest L. Eliel, Muthiah Manoharan, K. Michal Pietrusiewicz and Karl D. Hargrave
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

4 .     carbonyl-bis-(L-valine ethyl ester)
    相似度:62.5%
Organic Magnetic Resonance          1973          5          353-356
Carbon-13 and proton magnetic resonance studies of some carbonyl-bis-(amino acid esters)
C. H. Lochmüller and R. W. Souter
Structure      13C NMR   碳谱模拟图
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2楼2013-05-19 17:04:07
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yaolan123

禁虫 (职业作家)

【答案】应助回帖

查询结果:共查到79个化合物(查询结果仅供参考)  
--------------------------------------------------------------------------------

1 .     1,3-di(1-butyl)-5-iodopyrimidine-2,4(1H,3H)-dione
C12H20IN2O2     相似度:58.3%
Molecules          2009          14          2768-2779
Synthesis of N-Substituted 5-Iodouracils as Antimicrobial and Anticancer Agents
Supaluk Prachayasittikul, Nirun Sornsongkhram, Ratchanok Pingaew, Apilak Worachartcheewan, Somsak Ruchirawat and Virapong Prachayasittikul
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

2 .     (±)-(3aS,9aR)-2,3,3a,4,9,9a-Hexahydro-1H-cyclopenta-quinoline
C12H15N     相似度:58.3%
Journal of Heterocyclic Chemistry          2003          40          101-106
Diastereoselective synthesis of linear-fused tricyclic nitrogen heterocycles by a tandem reduction-reductive amination reaction
Richard A. Bunce,Derrick M. Herron,Jason R. Lewis,Sharadsrikar V. Kotturi and Elizabeth M. Holt
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

3 .     Taiwapyrone
C10H14O4     相似度:58.3%
Helvetica Chimica Acta          2010          93          925-933
Seven Novel Linear Polyketides from Xylaria sp. NCY2
Zhi-Yu Hu, Yao-Yao Li, Chun-Hua Lu, Ting Lin, Ping Hu and Yue-Mao Shen
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

4 .     cis-carvone epoxide
    相似度:58.3%
Phytochemistry          1985          24          863-865
Trans-carvone oxide, a monoterpene epoxide from the fragrance of Catasetum
Niels Lindquist, Merle A. Battiste, W. Mark Whitten, Norris H. Williams, Lucjan Strekowski
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

5 .     2,2,7-Trimethyl-2,3-dihydroquinazolin-4(1H)-one
C11H14N2O     相似度:58.3%
Journal of Heterocyclic Chemistry          2012          49          533-542
The Divergent Transformations of Aromatic o-Aminonitrile with Carbonyl Compound
Jianhong Tang, Jiarong Li, Lijun Zhang, Shuling Ma, Daxin Shi, Qi Zhang, Liupan Yang, Xiuzhen Wang, Xuan Liu and Change Liu
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

6 .     9-hydroxymethyl-12-methyl-3-oxa-endo-tricy-clo[6.2.2.01,6]dodec-11-en-10-one
C13H18O3     相似度:53.8%
Indian Journal of Chemistry          2009          48B          1148-1155
Intramolecular cycloaddition in cyclohexa-2,4-dienone and photochemical reactions: Synthesis of 12-methyl-3-oxa-endo-tricyclo[6.2.2.01,6]dodec-11-en-10-one,and pyran annulated bicyclo[3.3.0]octane and bicyclo[4.2.0]octane frameworks
Singh,Vishwakarma; Sahu,Bharat C
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

7 .     1-(4-methoxyphenyl)-2-propylpiperidine
C15H23NO     相似度:53.8%
Heterocycles          2006          70          335-344
Enantioselective Synthesis of ent-Sedridine and (+)-Coniine via Proline-Catalyzed Mannich Reaction
Kazuhiro Nagata, Kosuke Nishimura, Masashi Yokoya, and Takashi Itoh*
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

8 .     ethyl (1S,4R,5S)-5,8,8-trimethyl-3-oxo-2-oxabicyclo[3.2.1]octane-4-carboxylate
C13H20O4     相似度:53.8%
European Journal of Organic Chemistry          2011                   5002-5011
Control of the Regio- and Diastereoselectivity for the Preparation of Highly Functionalized Terpenic Cyclopentanes through Radical Cyclization
Jesús F. Arteaga, Horacio R. Diéguez, José A. González-Delgado, José F. Quílez del Moral and Alejandro F. Barrero
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

9 .     compound 10b
C16H30OSi     相似度:53.8%
Australian Journal of Chemistry          1996          49          741-749
7,9-Dihydroxy-1,8-cineole and 2α,7-Dihydroxy-1,8-cineole: Two New Possum Urinary Metabolites
RM Carman and AC Garner
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

10 .     8-Chloro-5-isopropyl-8-methylnona-2,6-dione
C13H23ClO2     相似度:53.8%
Chemical & Pharmaceutical Bulletin          2012          60          793-797
Titanium(IV) Chloride-Mediated Ring Cleavage and Michael Addition of 3,3-Dialkylcyclobutanones and 3-[(Trimethylsilyl)methyl]-cyclobutanones
Ryosuke Okuno, Jun-ichi Matsuo, Hiroyuki Ishibashi
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

11 .     (3RS,5'SR,6'SR)-(E)-3-Methyl-5-(2',5',6'-trimethyl-2'-cyclohexenylidene)-l-pentyn-3-ol
    相似度:53.3%
Helvetica Chimica Acta          1980          63          293-314
Synthesis and Configuration of the Eight Diastereoisomeric Racemates of Dactyloxene-B. The relative configuration of dactyloxene-B and -C
Bruno Maurer, Arnold Hauser, Walter Thommen, Karl H. Schulte-Elte, Günther Ohloff
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

12 .     (3RS,5'RS,6'RS)-(E)-3-Methyl-5-(2',5',6'-trimethyl-2'-cyclohexenylidene)-l-pentyn-3-ol
    相似度:53.3%
Helvetica Chimica Acta          1980          63          293-314
Synthesis and Configuration of the Eight Diastereoisomeric Racemates of Dactyloxene-B. The relative configuration of dactyloxene-B and -C
Bruno Maurer, Arnold Hauser, Walter Thommen, Karl H. Schulte-Elte, Günther Ohloff
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

13 .     compound 20
C15H22O     相似度:53.3%
Canadian Journal of Chemistry          2006          84          1456-1469
Intramolecular [4 + 3] cycloadditions -Stereochemical issues in the cycloaddition reactions of cyclopentenyl cations - A synthesis of (+)-dactylol1
Michael Harmata, Paitoon Rashatasakhon, and Charles L. Barnes
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

14 .     5,5-dimethyl-2-oxo-3-(1,1,2-trimethylprop-2-enyl)-3,4,5,6-tetrahydro-2H-pyran-3-carbonitrile
    相似度:50%
Helvetica Chimica Acta          1999          Vol. 82          177
Photocycloaddition of 2-Oxopyran-3-carbonitriles to 2,3-Dimethylbut-2-ene
Dirk Schwebel, Jeanette Ziegenbalg, Jürgen Kopf and Paul Margaretha
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

15 .     14-hydroxycornexistin
    相似度:50%
Journal of Natural Products          1996          59          698-700
Hydroxycornexistin: A New Phytotoxin from Paecilomyces variotii
S. C. Fields, L. Mireles-Lo, and B. C. Gerwick
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

16 .     N-ethylisocarvomenthylamine
    相似度:50%
Chemistry of Natural Compounds          1980          16          397-402
SYNTHESIS AND STUDY OF THE STRUCTURE OF NEW N-SUBSTITUTED 2-METHYL-5-(1-METHYLETHYL)CYCLOHEXYLAMINES
I. I, Bardyshev, N. G. Kozlov, T. K. Vyalimyae, and T. I. Pekhk
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

17 .     2-Butyl-1-ethyl-3-methylimidazolium tetrafluoroborate
C10H19N2     相似度:50%
Molecules          2009          14          2181-2194
Synthesis of Two New Hemisynthetic Diterpenylhydroquinones from Natural Ent-Labdanes
Luis Espinoza Catalán, Karen Catalán Marín, Alejandro Madrid Villegas, Héctor Carrasco Altamirano, Joan Villena García and Mauricio Cuellar Fritis
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

18 .     1,3,3-trimethyl-2-(methanesulfonyl-methyl)-7-oxabicyclo[2.2.1]heptane
    相似度:50%
Journal of Natural Products          1990          Vol 53          1357
A Short Synthesis of (±)-3',6'-Epoxycycloaurapten
Michael P. DiFazio, Albert T. Sneden
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

19 .     2,4,6-trimethylnonane-1-sodium sulfate
C12H25SO4Na     相似度:50%
Journal of Natural Products          1991          Vol 54          302
Novel Sulfated Hydrocarbons from the Sea Cucumber Cucumaria frondosa
John A. Findlay, Nurettin Yayli, Larry A. Calhoun
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

20 .     compound 12
    相似度:50%
Journal of Natural Products          1992          Vol 55          1186
Secondary Metabolites of the Yellow and Gray Morphs of the Soft Coral Parerythropodium fulvum fulvum: Comparative Aspects
D. Green, Y. Kashman, Y. Benayahu
Structure      13C NMR   碳谱模拟图
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3楼2013-05-19 17:10:01
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

yaolan123

禁虫 (职业作家)

【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
追索晨曦: 金币+20, ★★★★★最佳答案, 谢谢了啊 2013-05-19 17:12:23
查询结果:共查到2个化合物(查询结果仅供参考)  
--------------------------------------------------------------------------------

1 .     Compound 10
    相似度:50%
Bioorganic & Medicinal Chemistry Letters          1995          5          3079-3084
Aromatic guanyl hydrazones: Synthesis, structural studies and in vitro activity against Trypanosoma cruzi
J. C. Messeder, L. W. Tinoco, J. D. Figueroa-Villar, E. M. Souza, R. Santa Rita and, S. L. de Castro
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

2 .     [4-methylthio-3,5-bis(methoxymethoxy)phenyl]methanethiol
C12H18O4S2     相似度:50%
European Journal of Organic Chemistry          2010                   2701-2708
Effect of Substituents on the Molecular Shapes of π-Basic Macrotricyclic Receptors
Anne Lélias-Vanderperre, Emmanuel Aubert, Jean-Claude Chambron and Enrique Espinosa
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------
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4楼2013-05-19 17:10:35
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