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yjl2007

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[求助] 求助一化合物微谱数据结构

化合物碳谱数据如下,溶剂是氘代氯仿
29.4, 29.7, 52.7, 128.9, 131.9
谢谢
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【答案】应助回帖

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感谢参与,应助指数 +1
yjl2007: 金币+10 2013-06-30 17:12:09
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82个化合物(查询结果仅供参考)
1 .     (2E,7E)-Nonadien-1,9-diol
C9H16O2     相似度:60%
Molecules          1997          2          80-86
The Intramolecular Radical Cation Induced Diels-Alder Reaction in the Diene - Diene Format
David B. Rusterholz, David B. Gorman and Paul G. Gassman
Structure      13C NMR   碳谱模拟图
2 .     Methyl 4-nitrobutanoate
    相似度:60%
Molecules          2009          14          1595-1604
Synthesis of γ-Nitro Aliphatic Methyl Esters Via Michael Additions Promoted by Microwave Irradiation
Jaime Escalante and Francisco D. Díaz-Coutiño
Structure      13C NMR   碳谱模拟图
3 .     dimethyl 4-nitroheptanedioate
    相似度:60%
Molecules          2009          14          1595-1604
Synthesis of γ-Nitro Aliphatic Methyl Esters Via Michael Additions Promoted by Microwave Irradiation
Jaime Escalante and Francisco D. Díaz-Coutiño
Structure      13C NMR   碳谱模拟图
4 .     methyl hydrogen succinate
    相似度:60%
China Journal of Chinese Materia Medica          2008          33          909-911
Studies on chemical constituents of Ranunculus ternatus
XIONG Ying, DENG Kezhong, GAO Wenyuan, GUO Yuanqiang
Structure      13C NMR   碳谱模拟图
5 .     meso-1a,2,7,7a-tetrahydronaphtho[2,3-b]oxirene
    相似度:60%
Heterocycles          2009          77          1123-1146
Synthesis of Annulated 1,4-Dioxanes and Perhydro-1,4-oxazines by Domino-Wacker-Carbonylation and Domino-Wacker-Mizoroki-Heck Reactions
Lutz F. Tietze, Arne Heins, Mohammad Soleiman-Beigi, and Christian Raith
Structure      13C NMR   碳谱模拟图
6 .     4-(2-methoxycarbonyl-ethyl)-4-nitro-heptanedioic acid dimethyl ester
    相似度:60%
Heterocycles          2009          79          721-738
Stereocontrolled Total Synthesis of (±)-FR901483
Shigeru Ieda, Yusuke Asoh, Teppei Fujimoto, Haruka Kitaoka, Toshiyuki Kan, and Tohru Fukuyama
Structure      13C NMR   碳谱模拟图
7 .     Compound 8
C5H15N4PO3     相似度:60%
Bioorganic & Medicinal Chemistry Letters          1996          6          999-1002
Synthesis of phosphorus-containing amino acid analogs as inhibitors of nitric oxide synthase
Marlon Cowart, Elizabeth A. Kowaluk, Kathy L. Kohlhaas, Karen M. Alexander, James F. Kerwin Jr.
Structure      13C NMR   碳谱模拟图
8 .     methyl 4-chlorobenzoate
C8H7ClO2     相似度:60%
Molecules          2010          15          9046-9056
Synthesis and Antiviral Activity of 5‑(4‑Chlorophenyl)-1,3,4-Thiadiazole Sulfonamides
Zhuo Chen, Weiming Xu, Keming Liu, Song Yang, Huitao Fan, Pinaki S. Bhadury, De-Yu Huang and Yuping Zhang
Structure      13C NMR   碳谱模拟图
9 .     Compound 7
    相似度:60%
Magnetic Resonance in Chemistry          2008          46          156-165
1H, 13C and 15N NMR studies on adducts formation of rhodium(II) tetraacylates with some azoles in CDCl3 solution (pages 156–165)
Wojciech Bocian, Jarosław Jaźwiński and Agnieszka Sadlej
Structure      13C NMR   碳谱模拟图
10 .     dimethyl phthalate
    相似度:60%
Chinese Traditional and Herbal Drugs          2003          34          584-585
Studies on chemical constituents of Gastrodia elata
WANG Li; XIAO Hong bin; LIANG Xin miao
Structure      13C NMR   碳谱模拟图
11 .     terephthalic acid dimethyl ester
    相似度:60%
Natural Product Research and Development          2010          22          987-990
Chemical Constituents of Myristica argentea Warb.
SHI Ji; ZHAO Qi-miao; JIA Tia-zhu
Structure      13C NMR   碳谱模拟图
12 .     1a,2,7,7a-tetrahydronaphtho[2,3-b]oxirane
C10H10O     相似度:60%
Russian Journal of Organic Chemistry          2008          44          362-368
Synthesis of aryl-containing terpenoids based on 1,4-dihydronaphthalene
O. S. Kukovinets, M. I. Kislitsyn, R. A. Zainullin, A. A. Mukhamedzyanova and F. Z. Galin, et al.
Structure      13C NMR   碳谱模拟图
13 .     1,3-bis(diphenylphosphino)propane
    相似度:60%
Tetrahedron          2012          68          3151-3155
Reduction of phosphine oxides to phosphines with the InBr3/TMDS system
Leyla Pehlivan, Estelle Métay, Dominique Delbrayelle, Gérard Mignani, Marc Lemaire
Structure      13C NMR   碳谱模拟图
14 .     norpyrenophorin
    相似度:60%
European Journal of Organic Chemistry          2010                   6895-6899
Macrocyclisation of Macrodiolide with Dimethylaluminium Methaneselenolate
Liu-Lan Shen, Han-Seo Mun and Jin-Hyun Jeong
Structure      13C NMR   碳谱模拟图
15 .     2-fluoro-1,3-bis(dibromomethyl)benzene
C8H5Br4F     相似度:60%
Tetrahedron          2013          69          1904-1911
Synthesis of an alkylthio-substituted dibenz[a,j]anthracene with improved solubility via the oxidative photocyclization of 1,3-distyrylbenzene derivatives
Takuya Toyoshima, Satoshi Yoshida, Soichiro Watanabe
Structure      13C NMR   碳谱模拟图
16 .     dimethylphthalate
    相似度:60%
Modern Chinese Medicine          2012          14          7-9
Chemical Constituents of Leaves of Broussonetia papyrifera ( L. )
Li Ying-ying, Dou De-qiang, Xiong Wei
Structure      13C NMR   碳谱模拟图
17 .     dimethyl phthalate
    相似度:60%
Natural Product Research and Development          2012          24          42-46
Chemical constituents of Swertia cincta
GENG Jia-ling; GENG Chang-an; CHEN Ji-jun
Structure      13C NMR   碳谱模拟图
18 .     1-(2-Bromoethyl)pyrazole
    相似度:60%
Bioorganic & Medicinal Chemistry          1999          7          517-527
N-2-(Azol-1(2)-yl)ethyliminodiacetic acids: a novel series of Gd(III) chelators as T2 relaxation agents for magnetic resonance imaging
Pilar López, Christa G Seipelt, Patrick Merkling, Laszlo Sturz, José Álvarez, Andreas Dölle, Manfred D Zeidler, Sebastián Cerdán, Paloma Ballesteros
Structure      13C NMR   碳谱模拟图
19 .     acetonylidentriphenylphosphoran
    相似度:57.1%
Helvetica Chimica Acta          1976          59          1698-1704
Totalsynthese des Verrucarins E sowie ihre Anwendung zur Herstellung eines 13C-markierten Derivates desselben
Albert Gossauer and Klaus Suhl
Structure      13C NMR   碳谱模拟图
20 .     1,5-Bis(phenyl selanyl)pentane
    相似度:57.1%
Canadian Journal of Chemistry          2009          87          678-683
On the reactivity of indium(III) benzenechalcogenolates (chalcogen = sulfur and selenium) towards organyl halides for the synthesis of organyl phenyl chalcogenides
Clovis Peppe and Liérson Borges de Castro
Structure      13C NMR   碳谱模拟图
Domyallbesttohaveahappylife.
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