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北京石油化工学院2026年研究生招生接收调剂公告
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chumjun

新虫 (正式写手)

[求助] C谱求助化合物结构 已有1人参与

氘代溶剂DMSO
C谱数据:12.4,13.9,14.4,17.6,19.3,24.5,37.9,46.7,49.1,71.5,145.6,156.8,195.7
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seuseasoar

至尊木虫 (知名作家)

【答案】应助回帖

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感谢参与,应助指数 +1
chumjun: 金币+10, 有帮助 2015-01-28 16:05:41
1 .     (-)-(2E)-2-Ethyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl](4,4-2H2)but-2-enal
    相似度:61.5%
Helvetica Chimica Acta          2009          92          1782-1799
Synthesis of Deuterium-Labeled Perfume Ingredients as Internal Standards for Their GC/MS Quantification
Christian Chapuis, Carole Cantatore, Peter Fankhauser, René Challand, Jean-Jacques Riedhauser
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
2 .     6-ethyl-2,5-dimethyl-5-(prop-1-en-2-yl)octan-2-ol
C15H30O     相似度:60%
Chemistry & Biodiversity          2014          11          1567-1596
From Cassyrane to Cashmeran – The Molecular Parameters of Odorants
Philip Kraft, Valeria Di Cristofaro and Samuel Jordi
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
尼赫
2楼2015-01-27 10:53:45
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chumjun

新虫 (正式写手)

引用回帖:
2楼: Originally posted by seuseasoar at 2015-01-27 10:53:45
1 .     (-)-(2E)-2-Ethyl-4-(4,4-2H2)but-2-enal
    相似度:61.5%
Helvetica Chimica Acta          2009          92          1782-1799
Synthesis of Deuterium-Labeled Perfume Ingredients as Internal ...

多谢,但是相似度低于60%的还有吗?
3楼2015-01-28 10:14:38
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seuseasoar

至尊木虫 (知名作家)

引用回帖:
3楼: Originally posted by chumjun at 2015-01-28 10:14:38
多谢,但是相似度低于60%的还有吗?...

1 .     (-)-(2E)-2-Ethyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl](4,4-2H2)but-2-enal
    相似度:61.5%
Helvetica Chimica Acta          2009          92          1782-1799
Synthesis of Deuterium-Labeled Perfume Ingredients as Internal Standards for Their GC/MS Quantification
Christian Chapuis, Carole Cantatore, Peter Fankhauser, René Challand, Jean-Jacques Riedhauser
Structure      13C NMR   碳谱模拟图
2 .     6-ethyl-2,5-dimethyl-5-(prop-1-en-2-yl)octan-2-ol
C15H30O     相似度:60%
Chemistry & Biodiversity          2014          11          1567-1596
From Cassyrane to Cashmeran – The Molecular Parameters of Odorants
Philip Kraft, Valeria Di Cristofaro and Samuel Jordi
Structure      13C NMR   碳谱模拟图
3 .     (±)-N,N-Dipropyl [(N'-ethoxycarbonyl)piperidine]-2-car-boxamide
C15H28N2O3     相似度:53.8%
Bioorganic & Medicinal Chemistry          2000          8          591-600
Syntheses of R and S isomers of AF-DX 384, a selective antagonist of muscarinic M2 receptors
Juliette Martin, Annamaria Deagostino, Cécile Perrio, François Dauphin, Christophe Ducandas, Christophe Morin, Paul-Louis Desbène, Marie Claire Lasne
Structure      13C NMR   碳谱模拟图
4 .     compound 3b
C13H22N4O     相似度:53.8%
Heterocycles          2000          53          2561-2567
A Novel Synthesis of Chiral DBU/DBN-related Molecules for Use in Asymmetric Base Catalysis
Hiyoshizo Kotsuki,* Atsushi Sugino, Hiromitsu Sakai, and Hiroko Yasuoka
Structure      13C NMR   碳谱模拟图
5 .     (1R,2R,3S,5S)-5-isopropenyl-2,4,4-trimethylcyclohexane-1,3-diol
    相似度:53.8%
Russian Journal of Organic Chemistry          2011          47          1256-1258
Influence of steric factors on the direction of reactions
N. K. Selezneva, F. A. Gimalova, R. F. Valeev, N. Z. Yagafarov and M. S. Miftakhov
Structure      13C NMR   碳谱模拟图
6 .     (S)-2-pentyl 3-oxohexanoate
    相似度:53.8%
European Journal of Organic Chemistry          2011                   3946-3950
Enzymatic Total Synthesis of Banana Volatile (S)-2-Pentyl (R)-3-Hydroxyhexanoate
Maria Kallergi, Dimitris Kalaitzakis and Ioulia Smonou
Structure      13C NMR   碳谱模拟图
7 .     2-ethyl-4-(2,2-dimethylcyclopent-3-en-1-yl)but-2-enal
    相似度:53.8%
Magnetic Resonance in Chemistry          1998          36          457-458
Assignment of 1H and 13C NMR signals of eight apocampholenic derivatives
M. Findeisen, C. Prehn, L. Hennig and K. Schulze
Structure      13C NMR   碳谱模拟图
8 .     2-O-Butanoyl-1,3-dideoxy-1,3-di-S-(N,Ndiethyldithiocarbamoyl)glycerol
    相似度:53.8%
Journal of Agricultural and Food Chemistry          2000          48          5283-5287
Synthesis and Antifungal Activity of Novel Bisdithiocarbamate Derivatives of Carbohydrates against Fusarium oxysporum f. sp. lini
Catherine Rafin, Etienne Veignie, and Michel SancholleDenis Postel, Christophe Len, Pierre Villa, and Gino Ronco
Structure      13C NMR   碳谱模拟图
9 .     compound (cis-exo-10d)
    相似度:53.8%
Chemistry & Biodiversity          2014          11          1470-1516
endo/exo Stereoselectivity in DielsAlder Reactions of ,β-Dialkylated Conjugated Enals to Cyclic 1,3-Dienes: Intermediates in the Synthesis of (−-β-Santalol and Its Analogs
Christian Chapuis, David Skuy, Jean-Yves de Saint Laumer and Robert Brauchli
Structure      13C NMR   碳谱模拟图
10 .     [8R,14S]-thapsan-8,14-diol
C20H32O4     相似度:53.3%
Phytochemistry          1984          23          809-811
(8R,14S)-8-angeloyloxythapsan-14-ol, a sesquiterpene with a novel carbon skeleton, from Thapsia villosa
Else Lemmich, Birthe Jensen, Ulla Rasmussen
Structure      13C NMR   碳谱模拟图
11 .     (1S,4R)-3-{3-(N-tert-butoxycarbonyl)aminopropyl}-3-aza-4,7,7-trimethylbicyclo-[2.2.1]heptan-2-one
C17H30N2O3     相似度:53.3%
Heterocycles          2000          53          2561-2567
A Novel Synthesis of Chiral DBU/DBN-related Molecules for Use in Asymmetric Base Catalysis
Hiyoshizo Kotsuki,* Atsushi Sugino, Hiromitsu Sakai, and Hiroko Yasuoka
Structure      13C NMR   碳谱模拟图
12 .     5-oxo-5.6H-silphiperfolen
    相似度:50%
Phytochemistry          1980          19          579-582
Neue sesquiterpene aus Liabum-arten
Ferdinand Bohlmann, Christa Zdero, Rolf Bohlmann, Robert M. King, Harold Robinson
Structure      13C NMR   碳谱模拟图
13 .     compound 4b
C18H32N2O3     相似度:50%
Heterocycles          2000          53          2561-2567
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Hiyoshizo Kotsuki,* Atsushi Sugino, Hiromitsu Sakai, and Hiroko Yasuoka
Structure      13C NMR   碳谱模拟图
14 .     15-nor-cadinan-4α-ol
C14H26O     相似度:50%
Tetrahedron          1999          55          15109-15126
Autoxidation of 4-amorphen-11-ol and the biogenesis of nor- and seco-amorphane sesquiterpenes from fabiana imbricata
Koon-Sin Ngo, Geoffrey D. Brown
Structure      13C NMR   碳谱模拟图
15 .     tetrabutylphosphonium (1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl sulfate
    相似度:50%
European Journal of Organic Chemistry          2010                   5817-5824
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Andreas Winkel and René Wilhelm
Structure      13C NMR   碳谱模拟图
16 .     4-(1-azidobut-2-yl)-5-benzoyl-6-methyl-1,2,3,4-tetrahydropyrimidin-2-one
C16H19N5O2     相似度:50%
Tetrahedron          2014          70          5398-5414
A novel access to pyrido[4,3-d]pyrimidine scaffold via Staudinger/intramolecular aza-Wittig reaction of 5-acyl-4-(β-azidoalkyl)-1,2,3,4-tetrahydropyrimidin-2-ones
Anastasia A. Fesenko, Anatoly D. Shutalev
Structure      13C NMR   碳谱模拟图
17 .     6-ethyl-5-methyl-5-(prop-1-en-2-yl)octan-2-one
C14H26O     相似度:50%
Chemistry & Biodiversity          2014          11          1567-1596
From Cassyrane to Cashmeran – The Molecular Parameters of Odorants
Philip Kraft, Valeria Di Cristofaro and Samuel Jordi
Structure      13C NMR   碳谱模拟图
尼赫
4楼2015-01-28 10:21:52
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