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laojiezi

新虫 (初入文坛)

[求助] 微谱求助,急急可以确切点么,我查文献真得不方便,万分感谢为了毕业,可以给结构的么 已有1人参与

碳谱  130.37,127.92,64.73,29.27,18.29,12.03
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梅春

金虫 (正式写手)

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感谢参与,应助指数 +1
1 .     Dibutyl phthalate
     相似度:75%
Records of Natural Products          2013          7          119-123
Chemical Constituents of the Sponge Mycale Sp ecies from South China Sea
Xuefeng Zhou, Xiuping Lin, Xieyang Guo, Bin Yang, Xian-Wen Yang and Yonghong Liu
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图



2 .     benzoic acid dibutyl ester
     相似度:71.4%
Chinese Traditional and Herbal Drugs          2014          45          2607-2610
Chemical constituents of Helianthemum ordosicum
WANG Qing-hu, Hubisihalatu, WU Jie-si, RONG Jun, Narenchaoketu, DAI Na-yin-tai
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图



3 .     2-(4-Chlorophenyl)ethylboronic acid
C24H24B3Cl3O3     相似度:66.6%
Bioorganic & Medicinal Chemistry          1994          2          35-48
Probing the specificity of the S1 binding site of subtilisin Carlsberg with boronic acids
Peter Seufer-Wasserthal, Valeri Martichonok, Thomas H. Keller, Bain Chin, Richard Martin, J.Bryan Jones
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图



4 .     3,6-bis[(isobutyryloxy)methyl]-1,2-dithiin
C14H20O4S2     相似度:66.6%
Journal of Medicinal Chemistry          1995          38          2628-2648
Novel 1,2-Dithiins: Synthesis, Molecular Modeling Studies, and Antifungal Activity
Donald E. Bierer, Jeffrey M. Dener, Larisa G. Dubenko, R. Eric Gerber, Joane Litvak, Stefan Peterli, Patricia Peterli-Roth, Thien V. Truong, Guohua Mao, Barr E. Bauer
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图



5 .     3,6-bis[[(cyclopropylcarbonyl)oxy]methyl]-1,2-dithiin
C14H16O4S2     相似度:66.6%
Journal of Medicinal Chemistry          1995          38          2628-2648
Novel 1,2-Dithiins: Synthesis, Molecular Modeling Studies, and Antifungal Activity
Donald E. Bierer, Jeffrey M. Dener, Larisa G. Dubenko, R. Eric Gerber, Joane Litvak, Stefan Peterli, Patricia Peterli-Roth, Thien V. Truong, Guohua Mao, Barr E. Bauer
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图



6 .     3,6-bis[[(cyclopropylcarbonyl)oxy]methyl]-1,2-dithiin
     相似度:66.6%
Journal of Medicinal Chemistry          1995          38          2628-2648
Novel 1,2-Dithiins: Synthesis, Molecular Modeling Studies, and Antifungal Activity
Donald E. Bierer, Jeffrey M. Dener, Larisa G. Dubenko, R. Eric Gerber, Joane Litvak, Stefan Peterli, Patricia Peterli-Roth, Thien V. Truong, Guohua Mao, Barr E. Bauer
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图



7 .     (Z,E)-2,4-hexadiene
     相似度:66.6%
Organic Magnetic Resonance          1973          5          147-153
Configurations and conformations in acyclic, unsaturated hydrocarbons. A 13C NMR study
J. W. de Haan and L. J. M. Van de Ven
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图



8 .     4-Bromo-5-methyl-2-(triisopropylsilyl)thiazole
     相似度:66.6%
Synthesis          2014          46          1469-1474
Synthesis of Pyridoacridines through Anionic Cascade Ring Closure
Petersen, Ida Nymann; Kristensen, Jesper Langgaard
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图



9 .     dibutyl phthalate
     相似度:62.5%
Chinese Traditional and Herbal Drugs          2013          44          2974-2976
Chemical constituents of Gastrodia elata
WANG Ya-wei, LI Zhi-feng, HE Ming-zhen, FENG Yu-lin, WANG Qi, LI Xiang, YANG Shi-lin,
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图



10 .     phthalic acid dibutyl ester
     相似度:62.5%
China Journal of Chinese Materia Medica          2014          39          1163-1167
Chemical constituents from whole plants of Aconitum tanguticum (III)
LI Yan-rong, LI Chun, WANG Zhi-min, YANG Li-xin
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图



11 .     3-methoxycylclohexene
C7H12O     相似度:57.1%
Tetrahedron          2002          58          5163-5172
Six- and five-membered 3-alkoxy-2-lithiocycloalkenes: new stable non-anionic β-functionalised organolithium compounds
Miguel Yus, Diego J Ramón, Inmaculada Gómez
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图



12 .     (2E,4S)-4-methyl-2-hexenol
C7H14O     相似度:57.1%
Tetrahedron          1999          55          7757-7770
Synthesis of dendryphiellin C, a trinor-sesquiterpene from a marine source
Hiroko Akao, Hiromasa Kiyota, Takao Nakajima, Takeshi Kitahara
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图



13 .     compound
C11H9N3O7     相似度:57.1%
The Journal of Organic Chemistry          1998          63          9846-9849
Synthetic Routes to Pyrroloiminoquinone Alkaloids. A Direct Synthesis of Makaluvamine C
George A. Kraus and Natesan Selvakumar
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图



14 .     1,3-bis(2-tert-butyltetrazol-5-yl)benzene
C16H22N8     相似度:57.1%
Russian Journal of Organic Chemistry          2007          43          591-595
Basicity of isomeric ditetrazolylbenzenes and their N-tert-butyl derivatives
E. A. Popova, A. V. Ivanova, R. E. Trifonov, E. V. Popov and V. Yu. Zubarev, et al.
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图



15 .     pseudoephedrine
     相似度:57.1%
Korean Journal of Pharmacognosy          2010          41          141-146
Analysis and Stability Test of the Extract from Ephedrae Herba, Phytolaccae Radix and Polyporus for Toxicity Study
Thao, Nguyen Thi Phuong; Hung, Tran Manh; Cuong, To Dao; Huh, Jung-Im; Kwack, Seung-Jun; Kim, Ji-Myoung; Kang, Tae-Suk; Lee, Je-Hyun; Woo, Mi-Hee; Choi, Jae-Sue; Kang, Sam-Sik; Bae, Ki-Hwan; Min, Byung-Sun
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图



16 .     3,6-bis[[(cyclopentylcarbonyl)oxy]methyl]-1,2-dithiin
C18H24O4S2     相似度:57.1%
Journal of Medicinal Chemistry          1995          38          2628-2648
Novel 1,2-Dithiins: Synthesis, Molecular Modeling Studies, and Antifungal Activity
Donald E. Bierer, Jeffrey M. Dener, Larisa G. Dubenko, R. Eric Gerber, Joane Litvak, Stefan Peterli, Patricia Peterli-Roth, Thien V. Truong, Guohua Mao, Barr E. Bauer
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图



17 .     (R,S)-2,5-bis(iodomethyl)-1-(benzenesulfonyl)pyrrolidine
     相似度:57.1%
Tetrahedron          2014          70          4547-4551
Novel design of 3,8-diazabicyclo[3.2.1]octane framework in oxidative sulfonamidation of 1,5-hexadiene
Bagrat A. Shainyan, Mikhail Yu Moskalik, Vera V. Astakhova, Uwe Schilde
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图



18 .     compound 25
     相似度:57.1%
Organic Magnetic Resonance          1982          18          178-183
Chemistry of the SO Bond. 8—A stereochemical investigation of some methyl-substituted trimethylene sulphites (1,3,2-Dioxathian 2-Oxides) via 13C nuclear magnetic resonance
Desmond G. Hellier and Andrew M. Phillips
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图



19 .     1-(Methylthio)propyl Disulfide (Z)-1-Propenyl
     相似度:57.1%
Journal of Agricultural and Food Chemistry          1997          45          4414-4422
Allium Chemistry:  Synthesis of 1-[Alk(en)ylsulfinyl]propyl Alk(en)yl Disulfides (Cepaenes), Antithrombotic Flavorants from Homogenates of Onion (Allium cepa)
Eric Block, Harsh Gulati, David Putman, Deyou Sha, Niannian You, and Shu-Hai Zhao
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图



20 .     1-(Methylsulfinyl)propyl (Z)-1-Propenyl Disulfide
     相似度:57.1%
Journal of Agricultural and Food Chemistry          1997          45          4414-4422
Allium Chemistry:  Synthesis of 1-[Alk(en)ylsulfinyl]propyl Alk(en)yl Disulfides (Cepaenes), Antithrombotic Flavorants from Homogenates of Onion (Allium cepa)
Eric Block, Harsh Gulati, David Putman, Deyou Sha, Niannian You, and Shu-Hai Zhao
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
2楼2015-02-16 21:02:32
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梅春

金虫 (正式写手)

【答案】应助回帖

类似结构如下

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  • 2015-02-16 21:10:25, 70.5 K
3楼2015-02-16 21:10:45
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laojiezi

新虫 (初入文坛)

引用回帖:
3楼: Originally posted by 梅春 at 2015-02-16 21:10:45
类似结构如下

亲发错了,结构和上面对不上呢,再给发一次好么,万分感谢
4楼2015-02-19 11:41:49
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梅春

金虫 (正式写手)

【答案】应助回帖

我不知道你得分子量,单从你给的碳信号,应该是这样的结构

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  • 附件 1 : 11.doc
  • 2015-02-19 12:20:03, 78 K
5楼2015-02-19 12:20:45
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梅春

金虫 (正式写手)

【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★
laojiezi: 金币+10, ★★★★★最佳答案, 谢谢呢,真得很感谢呢 2015-02-20 05:40:42
引用回帖:
4楼: Originally posted by laojiezi at 2015-02-19 11:41:49
亲发错了,结构和上面对不上呢,再给发一次好么,万分感谢...

上面发错了,再发一次给你

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  • 附件 1 : 11.doc
  • 2015-02-19 12:24:23, 23.5 K
6楼2015-02-19 12:24:49
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