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[求助] 微谱求助一个化合物结构 BY-1 已有1人参与

13C NMR (101 MHz, CDCl3) δ      
13.91,22.30,26.30,31.04,33.54,55.81, 87.43,  99.66,165.14,165.79,171.32
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wangkaibo123

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【答案】应助回帖

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感谢参与,应助指数 +1
zhaocaigui: 金币+10, 有帮助 2013-12-25 18:03:09
查询模式:模糊查询
碳谱数据输入:
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77个化合物(查询结果仅供参考)
1 .     4-Methoxy-6-nonyl-2-pyrone
C15H24O3     相似度:91.6%
Journal of Medicinal Chemistry          1987          30          1017-1023
Inhibition of human sputum elastase by substituted 2-pyrones. 2
Luisa Cook, Bela Ternai, Peter Ghosh
Structure      13C NMR   碳谱模拟图
2 .     6-pentyl-4-methoxy-pyran-2-one
    相似度:81.8%
The Journal of Antibiotics          2012          65          203-206
Phytotoxic α-pyrones produced by Pestalotiopsis guepinii, the causal agent of hazelnut twig blight
Antonio Evidente, Maria Chiara Zonno, Anna Andolfi, Ciro Troise, Alessio Cimmino and Maurizio Vurro
Structure      13C NMR   碳谱模拟图
3 .     compound 4
C14H24O5     相似度:63.6%
Tetrahedron Letters          2002          43          1973-1976
A one-pot radical addition/fragmentation route to ketones and esters
Michael G Roepel
Structure      13C NMR   碳谱模拟图
4 .     diethyl 2-hexanoylmalonate
    相似度:61.5%
Heterocycles          2005          65          77-94
Synthesis and Cyclization Reaction of Pyrazolin-5-one Derivatives
Jae-Chul Jung, E. Blake Watkins, and Mitchell A. Avery*
Structure      13C NMR   碳谱模拟图
5 .     dihydro-5,6-dehydrokawain
    相似度:58.3%
Phytochemistry          1988          27          435-438
Diterpenes from the rhizomes of Alpinia formosana
Hideji Itokawa,Shinji Yoshimoto,Hiroshi Morita
Structure      13C NMR   碳谱模拟图
6 .     compound 10
C12H18O4     相似度:58.3%
Tetrahedron          1987          43          2681-2688
Stereostructure of Rengyol and Isocengyol, Phenylethanoids of Forsythiasuspensa
Katsuya Endo, Kazuhiko Seya, Hiroshi Hikino
Structure      13C NMR   碳谱模拟图
7 .     4-Methoxy-6-[2-(4-tert-butylphenyl)ethyl]-2H-pyran-2-one
C18H23O3     相似度:57.1%
Bioorganic & Medicinal Chemistry          2012          20          1482-1493
Synthesis and antimalarial and antituberculosis activities of a series of natural and unnatural 4-methoxy-6-styryl-pyran-2-ones,dihydro analogues and photo-dimers
Stephen T. McCracken,Marcel Kaiser,Helena I. Boshoff,Peter D.W. Boyd,Brent R. Copp
Structure      13C NMR   碳谱模拟图
8 .     5-hydroxy-7-methoxy-2-pentylchromone
C15H18O4     相似度:57.1%
Phytochemistry          1989          28          1992-1993
A chromone from Zanthoxylum species
Carlos Jiménez,Manuel Marcos,Mary Carmen Villaverde,Ricardo Riguera,Luis Castedo,Frank Stermitz
Structure      13C NMR   碳谱模拟图
9 .     8-hydroxy-6-methoxy-3-pentylisocoumarin
C15H18O4     相似度:57.1%
Chinese Traditional and Herbal Drugs          2012          43          38-42
Chemical constituents from Dysoxylum lenticellatum
TANG Ting; NA Zhi; XU You-kai
Structure      13C NMR   碳谱模拟图
10 .     annularin D
C10H14O3     相似度:54.5%
Journal of Natural Products          2003          66          1302-1306
Annularins A-H: New Polyketide Metabolites from the Freshwater Aquatic Fungus Annulatascus triseptatus
Chen Li, Meaghan V. Nitka, and James B. Gloer
Structure      13C NMR   碳谱模拟图
11 .     6-bromo-1,1,1-trichloroundecane
    相似度:54.5%
Journal of Natural Products          2001          64          572-577
Polychlorinated Acetamides from the Cyanobacterium Microcoleus lyngbyaceus
Michael A. Orsini, Lewis K. Pannell, and Karen L. Erickson
Structure      13C NMR   碳谱模拟图
12 .     N,N,N',N'-Tetracyclohexylpentandiamid
C28H50N2O2     相似度:54.5%
Helvetica Chimica Acta          1980          63          191-196
Ionophore vom Typ der 3-Oxapentandiamide
Ernö Pretsch, Daniel Ammann, Hans F. Osswald, Mare Güggi, Wilhelm Simon
Structure      13C NMR   碳谱模拟图
13 .     6,6'-(2,2'-(1,4-Phenylene)bis(ethane-2,1-diyl))bis(4-methoxy-2H-pyran-2-one)
C22H22O6     相似度:54.5%
Bioorganic & Medicinal Chemistry          2012          20          1482-1493
Synthesis and antimalarial and antituberculosis activities of a series of natural and unnatural 4-methoxy-6-styryl-pyran-2-ones,dihydro analogues and photo-dimers
Stephen T. McCracken,Marcel Kaiser,Helena I. Boshoff,Peter D.W. Boyd,Brent R. Copp
Structure      13C NMR   碳谱模拟图
14 .     compound 10
C15H32OSi     相似度:54.5%
Organic letters          2001          3          461-463
First Direct Deprotonation−Electrophile Trapping of Simple Epoxides: Synthesis of α,β-Epoxysilanes from Terminal Epoxides
David M. Hodgson and Stephanie L. M. Norsikian
Structure      13C NMR   碳谱模拟图
15 .     compound 3/1
C11H15N5OS     相似度:54.5%
Journal of Heterocyclic Chemistry          2003          40          813-820
On triazoles XLVII. Synthesis of 1,3a,5,6,ωc-pentaazacycloalka[e]acenaphthylenes
Gábor Berecz and József Reiter
Structure      13C NMR   碳谱模拟图
16 .     compound 4/1
C11H14ClN5S     相似度:54.5%
Journal of Heterocyclic Chemistry          2003          40          813-820
On triazoles XLVII. Synthesis of 1,3a,5,6,ωc-pentaazacycloalka[e]acenaphthylenes
Gábor Berecz and József Reiter
Structure      13C NMR   碳谱模拟图
17 .     compound 25
    相似度:54.5%
Heterocycles          2008          75          2043-2061
Conformationally Constrained Adamantaneoxazolines of Pharmacological Interest
Ioannis Papanastasiou, George B. Foscolos, Andrew Tsotinis, Judit Oláh, Judit Ovádi, S. Radhika Prathalingam, and John Kelly
Structure      13C NMR   碳谱模拟图
18 .     N-1-Octyl uracil
C12H20N2O2     相似度:54.5%
Bioorganic & Medicinal Chemistry Letters          2007          17          1553-1557
Bile acid-based receptors containing 2,6-bis(acylamino)pyridine for recognition of uracil derivatives
Prosenjit Chattopadhyay, Pramod S. Pandey
Structure      13C NMR   碳谱模拟图
19 .     2 - (1'- oxo- hexadecyl) - 1, 3, 5 - trihydroxybenzene
    相似度:54.5%
Phytochemistry          1982          21          633-637
Phenolic lipids from related marine algae of the order dictyotales
William Gerwick, William Fenical
Structure      13C NMR   碳谱模拟图
20 .     2-hydroxyl-4-methoxyl-6-pentylbenzoic acid
C13H18O4     相似度:54.5%
Chinese Traditional and Herbal Drugs          2004          35          1090-1093
Chemical constituents of Cladonia stellaris
WANG Xiao-ling; YANG Bo-lun
Structure      13C NMR   碳谱模拟图
21 .     compound 1h
C11H17Cl3O2     相似度:54.5%
Tetrahedron Letters          2002          43          9315-9318
β-Alkoxyvinyl trichloromethyl ketones as N-heterocyclic acylating agent. A new access to 5H-thiazolo[3,2-a]pyrimidin-5-ones
Helio G Bonacorso, Rogério V Lourega, Arci D Wastowski, Alex F.C Flores, Nilo Zanatta, Marcos A.P Martins
Structure      13C NMR   碳谱模拟图
22 .     compound 2
    相似度:54.5%
Tetrahedron Letters          2003          44          4981-4984
Efficient deprotection of N-benzyloxycarbonyl group from amino acids by hydroxyapatite-bound Pd catalyst in the presence of molecular hydrogen
Makoto Murata, Takayoshi Hara, Kohsuke Mori, Masahiko Ooe, Tomoo Mizugaki, Kohki Ebitani, Kiyotomi Kaneda
Structure      13C NMR   碳谱模拟图
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