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夏天的雪2359

铁杆木虫 (著名写手)

笨笨的小虫

[求助] 求助微谱

溶剂:氘代氯仿
碳原子数目肯定是27个,应该有对称结构
碳谱数据如下:
版本一:14.4,20.9,22.9,65.5,110.0,115.1,115.5,130.1,130.6,156.7

版本二:14.4,20.9,22.9,25.4,26.9,32.0,33.2,65.5,110.0,115.1,115.5,130.1,130.6,156.7

非常感谢!
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感谢参与,应助指数 +1
夏天的雪2359: 金币+50, ★★★★★最佳答案, 非常谢谢! 2013-05-11 19:53:41
版本一
1 .     compound 4f
C12H15N3O2S     相似度:70%
Heterocycles          2011          83          2275-2287
Utilization of 2-Halo-1,3,4-thiadiazoles in the Synthesis of 2-Functionalized 1,3,4-Thiadiazole Derivatives
Xi-Cun Wang,* Jin-Ge Luo, Xiao-Mei Ding, and Zheng-Jun Quan
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

2 .     N-(4-Hydroxyphenyl)-N-(butyl)-4-hydroxybenzamide
C17H19NO3     相似度:63.6%
Bioorganic & Medicinal Chemistry          2000          8          1293-1316
Acyclic amides as estrogen receptor ligands: Synthesis, binding, activity and receptor interaction
Shaun R Stauffer, Jun Sun, Benita S Katzenellenbogen, John A Katzenellenbogen
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

3 .     (2S)-4-(4-hydroxyphenyl)-2-butanol
    相似度:60%
Phytochemistry          2007          68          487-492
Biotransformation of raspberry ketone and zingerone by cultured cells of Phytolacca americana
Kei Shimoda, Toshio Harada, Hatsuyuki Hamada, Nobuyoshi Nakajima,Hiroki Hamada
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

4 .     (+)-rhododendrol
    相似度:60%
Chemical & Pharmaceutical Bulletin          1983          31          1923-1928
Studies on the Constituents of Aceraceae Plants. V. Two Diarylheptanoid Glycosides and an Arylbutanol Apiosylglucoside from Acer nikoense
MASAHIRO NAGAI,MASAYOSHI KUBO,KUNIO TAKAHASHI,MASAO FUJITA and TAKAO INOUE
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

5 .     p-hydroxybenzylethyl ether
    相似度:60%
China Journal of Chinese Materia Medica          2004          29          147-149
Chemical constituents from the rhizoma of Arundina graminifolia
LIU Meifeng, HAN Yun, XING Dongming, Wang Wei, XU Lizhen, DU Lijun, DING Yi
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

6 .     (4Z,7Z)-4,7-decadienyl sulfate
C10H17O4SNa     相似度:60%
Journal of Natural Products          1994          Vol 57          1606
Antibacterial and Antifungal Sulfated Alkane and Alkenes from the Hepatopancreas of the Ascidian Halocynthia roretzi
Sachiko Tsukamoto, Haruko Kato, Hiroshi Hirota, Nobuhiro Fusetani
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

7 .     tyrosol
C8H10O2     相似度:60%
Chemistry of Natural Compounds          2011          Vol. 47, No. 3          448-449
COMPONENTS OF Fraxinus raibocarpa
Kh. Sh. Kamoldinov, K. A. Eshbakova, Kh. M. Bobakulov, and N. D. Abdullaev
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

8 .     ethyl 2-Cyano-2-(tosyloxyimino)acetate
C12H12N2O5S     相似度:60%
Chemical & Pharmaceutical Bulletin          2010          58          501-506
Sulfonate Esters of 1-Hydroxypyridin-2(1H)-one and Ethyl 2-Cyano-2-(hydroxyimino)acetate (Oxyma) as Effective Peptide Coupling Reagents to Replace 1-Hydroxybenzotriazole and 1-Hydroxy-7-azabenzotriazole
Sherine Nabil Khattab
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

9 .     2-isopropoxy-3-nitroimidazo[1,2-a]pyridine
C10H11N3O3     相似度:60%
Journal of Heterocyclic Chemistry          2006          43          565-569
Some nucleophilic substitutions in 2-cyano-3-nitroimidazo[1,2-a]pyridine
Lucina Arias,Héactor Salgado-Zamora,Elena Campos,Alicia Reyes,Humberto Cervantes and Edward C. Taylor
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

10 .     2-(2'-anilinyl)-2-oxazoline
    相似度:60%
Journal of Heterocyclic Chemistry          2003          40          513-517
Oxazoline chemistry part III. Synthesis and characterisation of [2-(2'-anilinyl)-2-oxazolines] and some related compounds
Karen M. Button and Robert A. Gossage
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

11 .     compound 3b
C13H15N5OS     相似度:60%
Heterocycles          2007          71          2363-2376
A Novel Method for N3-Functionalized Aminoimidazolines and Aminopyrimidines by Aza-Michael Additions of Aminoimidazolines and Aminopyrimidines to α, β-Unsaturated Carbonyl Compounds
Xi-Cun Wang, Cheng-Wei Lv, Zheng-Jun Quan, Guo-Li Huang, and Wen-Long Yang
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

12 .     N-(4-Hydroxyphenyl)-N-(ethyl)-4-hydroxybenzene sulfo-namide
C14H15NSO4     相似度:60%
Bioorganic & Medicinal Chemistry          2000          8          1293-1316
Acyclic amides as estrogen receptor ligands: Synthesis, binding, activity and receptor interaction
Shaun R Stauffer, Jun Sun, Benita S Katzenellenbogen, John A Katzenellenbogen
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

13 .     2-(2-Methoxybenzyl)malononitrile
C11H10N2O     相似度:60%
Heterocycles          2011          83          371-383
The Synthesis of Some Derivatives Based on the 4-Benzyl-1H-pyrazole-3,5-diamine Core
Lukáš Jedinák, Vladimír Kryštof, and Petr Cankař
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

14 .     compound 4e
C12H15N3OS     相似度:60%
Heterocycles          2011          83          2275-2287
Utilization of 2-Halo-1,3,4-thiadiazoles in the Synthesis of 2-Functionalized 1,3,4-Thiadiazole Derivatives
Xi-Cun Wang,* Jin-Ge Luo, Xiao-Mei Ding, and Zheng-Jun Quan
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

15 .     Isopropyl (E)-4-(2-bromovinyl)benzoate
C12H13BrO2     相似度:60%
Zeitschrift für Naturforschung B          2008          63          865-870
A One-pot Synthesis of Novel Functionalized (E)-b-Arylvinyl Bromides from anti-2,3-Dibromo-3-(4-carboxyphenyl)propanoic Acid
C. Kuang, Y. Jiang, Q. Yang, W. Zhang, and Y. Wen
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

16 .     compound 4b
C10H12O2S     相似度:60%
Heterocycles          2000          52          365-382
Synthesis, Isolation, and Dimerization and Trimerization of Monosubstituted Thiophene 1,1-Dioxides
Juzo Nakayama,* Hidehiro Nagasawa, Yoshiaki Sugihara, and Akihiko Ishii
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

17 .     4-[(propylamino) methyl] phenol
    相似度:60%
Food Chemistry          2012          130          945-952
Novel caffeic acid amide antioxidants: Synthesis, radical scavenging activity and performance under storage and frying conditions
Felix Aladedunye, Yohann Catel, Roman Przybylski
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

18 .     4-(methoxylmethoxy)benzyl acetate
C11H14O4     相似度:60%
Tetrahedron          2013          69          933-941
Facile synthesis of diarylmethanes via quinone methides
Kassrin Tangdenpaisal, Wong Phakhodee, Somsak Ruchirawat, Poonsakdi Ploypradith
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

19 .     4-Butoxymethylphenol
    相似度:60%
Journal of Agricultural and Food Chemistry          2001          49          5161-5164
Bioactive Aromatic Compounds from Leaves and Stems of Vanilla fragrans
Rongqi Sun, John N. Sacalis, Chee-Kok Chin, and Cecil C. Still
Structure      13C NMR   碳谱模拟图
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2楼2013-05-11 17:55:23
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版本2
1 .     tyrosol derivatives (1a–1c)
C25H50O2,C27H54O2,C29H58O2     相似度:64.2%
Phytochemistry          2004          65          2947-2951
Secondary metabolites from the leaves of Feijoa sellowiana Berg.
Giuseppe Ruberto, Corrado Tringali
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

2 .     octadecyl (E)-p-coumarate
    相似度:64.2%
China Journal of Chinese Materia Medica          2008          33          524-526
Chemical constituents from Hedyotis diffusa
HUANG Weihua, LI Youbin, JIANG Jianqin
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

3 .     nonyl benzoate
C16H24O2     相似度:64.2%
Zeitschrift für Naturforschung B          2005          60b          341-346
Enzymes Inhibitory Constituents from Buddleja crispa
Ijaz Ahmad, Abdul Malik, Nighat Afza, Itrat Anis, Itrat Fatima, Sarfraz Ahmad Nawaz, Rasool Bukhsh Tareen, and M. Iqbal Choudhary
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

4 .     3-(4'-Hydroxyphenyl)-5-(heptadec-8-enyl)-1H-1,2,4-triazole
    相似度:64.2%
Archiv der Pharmazie          2008          341          714-720
Synthesis,Antibacterial and Antifungal Activity of Some Novel 3,5-Disubstituted-1H-1,2,4-triazoles
Shweta Sharma, Saloni Gangal, Abdul Rauf and Maryam Zahin
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

5 .     4-[(hexylamino) methyl] phenol
    相似度:64.2%
Food Chemistry          2012          130          945-952
Novel caffeic acid amide antioxidants: Synthesis, radical scavenging activity and performance under storage and frying conditions
Felix Aladedunye, Yohann Catel, Roman Przybylski
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

6 .     2-(4'-Hydroxyphenyl)ethyl hexanoate
C14H20O3     相似度:64.2%
Journal of Agricultural and Food Chemistry          2008          56          8897-8904
Convenient Synthesis of Hydroxytyrosol and Its Lipophilic Derivatives from Tyrosol or Homovanillyl Alcohol
Roberta Bernini, Enrico Mincione, Maurizio Barontini and Fernanda Crisante
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

7 .     Ethyl 2-(2-cyclohexyl-4-thiocyanatophenoxy)acetate
    相似度:60%
Archiv der Pharmazie          2010          343          612-624
Synthesis,Biological Evaluation and Molecular Modeling of GW 501516 Analogues
Calin C. Ciocoiu, Aina W. Ravna, Ingebrigt Sylte and Trond Vidar Hansen
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

8 .     1,3-bis[(4-octylbenzyloxy)phenyl]propane-1,3-dione
    相似度:60%
Tetrahedron          2013          69          618-626
Heterocyclic 3,5-disubstituted phenylpyrazoles and isoxazoles: synthesis and mesomorphic behavior
Hsiu-Ming Kuo, Shao-Ling Tsai, Gene-Hsiang Lee, Hwo-Shuenn Sheu, Chung K. Lai
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

9 .     1,3-bis[(4-decyloxybenzyloxy)phenyl]propane-1,3-dione
    相似度:60%
Tetrahedron          2013          69          618-626
Heterocyclic 3,5-disubstituted phenylpyrazoles and isoxazoles: synthesis and mesomorphic behavior
Hsiu-Ming Kuo, Shao-Ling Tsai, Gene-Hsiang Lee, Hwo-Shuenn Sheu, Chung K. Lai
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

10 .     1,3-bis[(4-tetradecyloxybenzyloxy)phenyl]propane-1,3-dione
    相似度:60%
Tetrahedron          2013          69          618-626
Heterocyclic 3,5-disubstituted phenylpyrazoles and isoxazoles: synthesis and mesomorphic behavior
Hsiu-Ming Kuo, Shao-Ling Tsai, Gene-Hsiang Lee, Hwo-Shuenn Sheu, Chung K. Lai
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

11 .     1,3-bis[(4-hexadecyloxybenzyloxy)phenyl]propane-1,3-dione
    相似度:60%
Tetrahedron          2013          69          618-626
Heterocyclic 3,5-disubstituted phenylpyrazoles and isoxazoles: synthesis and mesomorphic behavior
Hsiu-Ming Kuo, Shao-Ling Tsai, Gene-Hsiang Lee, Hwo-Shuenn Sheu, Chung K. Lai
Structure      13C NMR   碳谱模拟图
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