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linkus1988

木虫 (正式写手)

[求助] help 微谱数据

溶剂为氯仿,
相似度在50%以上,
其碳谱数据为:65.1,41.8,30.0,29.0,23.2,23.0,14.0,11.0
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sunwen1111

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【答案】应助回帖

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PSA: 金币+1, 辛苦 2013-01-04 12:54:53
linkus1988: 金币+10, ★★★★★最佳答案, 辛苦了 2013-01-04 13:40:06
查询结果:共查到256个化合物(查询结果仅供参考)  
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1 .     2,6-di(2-ethylhexyl)-1H,5H-[1,4]dithiino[2,3-c:5,6-c']dipyrrole-1,3,5,7(2H,6H)-tetrone
C24H34N2O4S2     相似度:70%
Journal of Heterocyclic Chemistry          2010          47          188-193
The synthesis and characterization of solvatochromic maleimide-fused N-allyl- and N-alkyl-substituted 1,4-dithiines and Diels–Alder reactions with anthracene
Şirin Gülten
Structure      13C NMR   碳谱模拟图

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2 .     10-Nonacosanone
    相似度:66.6%
Biochemical Systematics and Ecology          1997          25          353-358
Phytochemical and chemotaxonomic studies of Foeniculum vulgare
B. Muckensturm, D. Foechterlen, J. -P. Reduron, P. Danton, M. Hildenbrand
Structure      13C NMR   碳谱模拟图

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3 .     1-tricosanol
    相似度:62.5%
Natural Product Research          2002          16          283-290
Isolation and Structure Elucidation of Three Glycosides and a Long Chain Alcohol from Polianthes Tuberosa Linn.
Khalid Mohammed Khan; Shahnaz Perveen; S. Abdul Majid Ayattollahi; Nikhat Saba; Adil Rashid; Sadiqa Firdous; Syed Moazzam Haider; Zia Ullah; Shagufta Rahat; Zarrar Khan
Structure      13C NMR   碳谱模拟图

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4 .     butyl-3-hydroxybutanoate
    相似度:62.5%
Phytochemistry          1997          45          1627-1631
Aliphatic β-D-glucosides from fruits of Carica pubescens
Doris Krajewski, Carmenza Duque, Peter Schrejer
Structure      13C NMR   碳谱模拟图

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5 .     7,8-bis-bromomethyl-tetra-decane
C16H32Br2     相似度:62.5%
Tetrahedron Letters          2000          41          8237-8241
Solubilized zirconocene dihydride as a promotor of alkene coupling reactions
Peter Wipf, Xiaodong Wang
Structure      13C NMR   碳谱模拟图

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6 .     4-Ocytne
    相似度:62.5%
Magnetic Resonance in Chemistry          2002          40          157-160
13C PHIP NMR spectra and polarization transfer during the homogeneous hydrogenation of alkynes with parahydrogen
Matthias Stephan, Olaf Kohlmann, Heiko G. Niessen, Andreas Eichhorn and Joachim Bargon
Structure      13C NMR   碳谱模拟图

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7 .     1-hexylcyclopropane
    相似度:62.5%
Tetrahedron Letters          2001          42          5057-5060
Aluminum chloride catalyzed hydrosilylation of cyclopropanes with chlorodimethylsilane
Shigeru Nagahara, Takashi Yamakawa, Hisashi Yamamoto
Structure      13C NMR   碳谱模拟图

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8 .     compound 5b
    相似度:62.5%
Tetrahedron Letters          2003          44          5263-5265
N-Bromosuccinimide-dimercaptoethane cobromination of alkenes: synthesis of β,β'-dibromodithioethers
Moufida Romdhani Younes, Mohamed Moncef Chaabouni, Ahmed Baklouti
Structure      13C NMR   碳谱模拟图

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9 .     Dihexyl-N-(1,2,4-triazol-4-yl)sulfoximine
C14H28N4OS     相似度:62.5%
European Journal of Organic Chemistry          2012                   1554-1562
Sulfur–Nitrogen and Carbon–Nitrogen Bond Formation by Intermolecular Imination and Amidation without Catalyst
Wen Bo Ma, Sheng Nan Li, Zhong Hua Zhou, Heng Shui Shen, Xue Li, Qiu Sun, Ling He and Ying Xue
Structure      13C NMR   碳谱模拟图

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10 .     compound VIa
    相似度:62.5%
Russian Journal of Organic Chemistry          2008          44          1235-1237
ReductiveselenationofaliphaticketonestodialkyldiselenideswithSe-CO-H2Ounderatmosphericpressure
Yahong Chen, Fengshou Tian, Maoping Song and Shiwei Lu
Structure      13C NMR   碳谱模拟图

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11 .     ketotriacontanol
C30H60O2     相似度:62.5%
Turkish Journal of Chemistry          2008          32          605-614
Studies on the Chemical Constituents of Thymus serpyllum
SHAHID AZIZ, . HABIB-UR-REHMAN
Structure      13C NMR   碳谱模拟图

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12 .     (1RS,3SR,4SR)-4-Bromospiro[2.2]pent-1-yl]-methanol
C6H9BrO     相似度:62.5%
European Journal of Organic Chemistry          2012                   1530-1545
A Novel Type of Chiral Triangulane-Based Diphosphane Ligands for Transition Metals
Alexander F. Khlebnikov, Sergei I. Kozhushkov, Dmitry S. Yufit, Heiko Schill, Michael Reggelin, Volker Spohr and Armin de Meijere
Structure      13C NMR   碳谱模拟图

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13 .     2,2-Dimethylcyclopentylmethanol
C8H16O     相似度:62.5%
Journal of the Brazilian Chemical Society          2000          11          578-583
Enantioselective Synthesis of (+)-Polyzonimine, Defensive Monoterpene Alkaloid Produced by a Milliped Polyzonium rosalbum, and Determination of Its S Absolute Configuration by Its Conversion to (4S,5R,6S)-(+)-Nitropolyzonamine.
Yasuyo Takagi and Kenji Mori
Structure      13C NMR   碳谱模拟图

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14 .     Ethylene-1,2--bis (N,N-dimethyl-N-dodecyldodecylammonium bromide)
    相似度:60%
Molecules          2011          16          319-335
Synthesis, Molecular Structure, Spectral Properties and Antifungal Activity of Polymethylene-α,ω-bis(N,N-dimethyl-Ndodecyloammonium bromides)
Bogumil Brycki, Iwona Kowalczyk and Anna Kozirog
Structure      13C NMR   碳谱模拟图

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15 .     (E)-4-oxo-2-nonenal
C9H14O2     相似度:55.5%
Journal of Natural Products          1998          61          673-674
Synthesis of (E)-4-Oxonon-2-enoic Acid, a Natural Antibiotic Produced by Streptomyces olivaceus
Roberto Ballini and Giovanna Bosica
Structure      13C NMR   碳谱模拟图

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16 .     heneicosanol
C21H44O     相似度:55.5%
Acta Pharmaceutica Sinica          1997          32          282-285
STUDIES ON LIPOSOLUBLE CONSTITUENTS FROM THE AERIAL PARTS OF SIEGESBECKIA ORIENTALIS L.
DA Guo; ZG Zhang; GQ Ye and ZC Lou
Structure      13C NMR   碳谱模拟图

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17 .     Nonylisocyanid
C10H19N     相似度:55.5%
Pharmazie          1999          54          412-417
Elektrosynthese von primären und sekundären Alkyl-, Arylisocyaniden sowie 1,n-Diisocyaniden
U. Hess - H. Brosig - J. Komenda
Structure      13C NMR   碳谱模拟图

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18 .     compound E-12
    相似度:55.5%
Tetrahedron Letters          2001          42          5057-5060
Aluminum chloride catalyzed hydrosilylation of cyclopropanes with chlorodimethylsilane
Shigeru Nagahara, Takashi Yamakawa, Hisashi Yamamoto
Structure      13C NMR   碳谱模拟图

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19 .     4-nonyl-oxetan-2-one
    相似度:55.5%
Bioorganic & Medicinal Chemistry          1998          6          1255-1272
Synthesis and inhibitory action on HMG-CoA synthase of racemic and optically active oxetan-2-ones (β-Lactones)
Daniel Romo, Paul H.M. Harrison, Stephen I. Jenkins, R.William Riddoch, Kaapjoo Park, Hong Woon Yang, Cunxiang Zhao, Gerard D. Wright
Structure      13C NMR   碳谱模拟图

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20 .     1-pentyl-3-(2-oxo-tetrahydro-furan-3-yl)-sulfonylurea
C9H18N2O4S     相似度:55.5%
Bioorganic & Medicinal Chemistry          2008          16          3550-3556
Synthetic homoserine lactone-derived sulfonylureas as inhibitors of Vibrio fischeri quorum sensing regulator
Marine Frezza, Laurent Soulère, Sylvie Reverchon, Nicolas Guiliani, Carlos Jerez, Yves Queneau, Alain Doutheau
Structure      13C NMR   碳谱模拟图

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21 .     (6Z,10Z)-7,10-dimethylhexadeca-6,10-diene
C18H34     相似度:55.5%
Russian Journal of Organic Chemistry          2007          43          956-960
Stereoselective synthesis of trisubstituted olefins through 2,5-dialkylidenemagnesacyclopentanes
V. A. D’yakonov, R. A. Zinnurova, A. G. Ibragimov and U. M. Dzhemilev
Structure      13C NMR   碳谱模拟图

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22 .     (E)-4-oxonon-2-enoic acid
C9H14O3     相似度:55.5%
The Journal of Antibiotics          1996          49          826-828
(E)-4-Oxonon-2-enoic Acid, an Antibiotically Active Fatty Acid Produced by Streptomyces olivaceus Tü 4018
CHRISTOPH PFEFFERLE, CHRISTOPH KEMPTER, JÖRG W. METZGER, HANS-PETER FIEDLER
Structure      13C NMR   碳谱模拟图

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23 .     (Z)-3-methyloct-4-enoic acid
C9H16O2     相似度:55.5%
European Journal of Organic Chemistry          2011                   1852-1857
An Expedient Synthesis of Olfactory Lactones by Intramolecular Hydroacylalkoxylation Reactions
Luis A. Adrio and King Kuok (Mimi) Hii
Structure      13C NMR   碳谱模拟图

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24 .     (4-dimethylaminopiperidin-1-yl)pentane
C12H26N2     相似度:55.5%
Biological and Pharmaceutical Bulletin          2002          25          1030-1034
Antinociceptive Effects of 1-Acyl-4-dialkylaminopiperidine and 1-Alkyl-4-dialkylaminopiperidine in Mice: Structure–Activity Relation Study of Matrine-Type Alkaloids
Seiichi Kobashi, Hajime Kubo, Takayasu Yamauchi, Kimio Higashiyama
Structure      13C NMR   碳谱模拟图

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25 .     3-(5-butyl-1H-tetrazol-1-yl)dihydrofuran-2(3H)-one
C9H14N4O2     相似度:55.5%
Bioorganic & Medicinal Chemistry          2012          20          4727-4736
Synthesis and biological evaluation of new N-acyl-homoserine-lactone analogues, based on triazole and tetrazole scaffolds, acting as LuxR-dependent quorum sensing modulators
Mohamad Sabbah, Fanny Fontaine, Lucie Grand, Mohamed Boukraa, Mohamed L. Efrit, Alain Doutheau, Laurent Soulère, Yves Queneau
Structure      13C NMR   碳谱模拟图

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26 .     Methyloctyl sulfoxide
C9H20OS     相似度:55.5%
Journal of Natural Products          2011          74          809-815
Lehualides E−K, Cytotoxic Metabolites from the Tongan Marine Sponge Plakortis sp.
Jacqueline M. Barber, Natelle C. H. Quek, Dora C. Leahy, John H. Miller, David S. Bellows, and Peter T. Northcote
Structure      13C NMR   碳谱模拟图

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27 .     Methyloctyl sulfone
    相似度:55.5%
Journal of Natural Products          2011          74          809-815
Lehualides E−K, Cytotoxic Metabolites from the Tongan Marine Sponge Plakortis sp.
Jacqueline M. Barber, Natelle C. H. Quek, Dora C. Leahy, John H. Miller, David S. Bellows, and Peter T. Northcote
Structure      13C NMR   碳谱模拟图

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28 .     Butyl N-Isopropyl-β-alaninate
C10H21NO2     相似度:55.5%
European Journal of Organic Chemistry          2012                   1164-1170
Promiscuous Behavior of Rhizomucor miehei Lipase in the Synthesis of N-Substituted β-Amino Esters
Leandro N. Monsalve, Florencia Gillanders and Alicia Baldessari
Structure      13C NMR   碳谱模拟图

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29 .     compound 28
C13H22O3     相似度:54.5%
Tetrahedron Letters          2002          43          5333-5337
Novel ether-ring transformation via a phenonium ion
Shinji Nagumo, Yusuke Ishii, Yo-ichiro Kakimoto, Norio Kawahara
Structure      13C NMR   碳谱模拟图

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30 .     (R)-(-)-N-2-Ethylhexylpropanamide
C11H23NO     相似度:54.5%
Tetrahedron Letters          2005          46          4511-4514
Solvent-free biocatalytic amidation of carboxylic acids
Ashok K. Prasad, Mofazzal Husain, Brajendra K. Singh, Rajinder K. Gupta, Vijay K. Manchanda, Carl E. Olsen, Virinder S. Parmar
Structure      13C NMR   碳谱模拟图

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31 .     3-hydroxy-2,2-dimethyltridecan-4-one
C15H30O2     相似度:54.5%
Bioorganic & Medicinal Chemistry          2011          19          6906-6918
Small molecule probes of the receptor binding site in the Vibrio cholerae CAI-1 quorum sensing circuit
Megan E. Bolitho, Lark J. Perez, Matthew J. Koch, Wai-Leung Ng, Bonnie L. Bassler, Martin F. Semmelhack
Structure      13C NMR   碳谱模拟图

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32 .     bis(2-ethylhexyl) adipate
    相似度:54.5%
Turkish Journal of Chemistry          2003          27          749-755
Chemical Constituents of Campanula lactiflora
NURETTİN YAYLI, NURİ YILDIRIM, ASU USTA, SERPİL ÖZKURT, VİLDAN AKGÜN
Structure      13C NMR   碳谱模拟图

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33 .     Tetraethylene-1,4-bis(N,N-dimethyl-N-dodecyldodecylammonium bromide)
    相似度:54.5%
Molecules          2011          16          319-335
Synthesis, Molecular Structure, Spectral Properties and Antifungal Activity of Polymethylene-α,ω-bis(N,N-dimethyl-Ndodecyloammonium bromides)
Bogumil Brycki, Iwona Kowalczyk and Anna Kozirog
Structure      13C NMR   碳谱模拟图

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34 .     Threemethylene-1,3-bis(N,N-dimethyl-N-dodecyldodecylammonium bromide)
    相似度:54.5%
Molecules          2011          16          319-335
Synthesis, Molecular Structure, Spectral Properties and Antifungal Activity of Polymethylene-α,ω-bis(N,N-dimethyl-Ndodecyloammonium bromides)
Bogumil Brycki, Iwona Kowalczyk and Anna Kozirog
Structure      13C NMR   碳谱模拟图

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35 .     (3S*)-1-Ethyl-3-[(1S*)-1-hydroxy-2-methylpropyl]hexahydro-2-pyridinone
    相似度:54.5%
Journal of the Brazilian Chemical Society          2003          14          982-993
Studies Towards the Construction of Alkylidene Quinolizidines. The Total Synthesis of Homopumiliotoxin 223G
Leonardo S. Santos and Ronaldo A. Pilli
Structure      13C NMR   碳谱模拟图

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36 .     (R)-(-)-N-2-Ethylhexylpentanamide
C13H27NO     相似度:53.8%
Tetrahedron Letters          2005          46          4511-4514
Solvent-free biocatalytic amidation of carboxylic acids
Ashok K. Prasad, Mofazzal Husain, Brajendra K. Singh, Rajinder K. Gupta, Vijay K. Manchanda, Carl E. Olsen, Virinder S. Parmar
Structure      13C NMR   碳谱模拟图

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37 .     bis(2-ethylhexyl) benzene-1,2-dicarboxylate
    相似度:50%
Chemistry & Biodiversity          2006          Vol. 3          49
Larvicidal Activity of Bis(2-ethylhexyl) Benzene-1,2-dicarboxylate from Sterculia guttata Seeds Against Two Mosquito Species
Sushama R. Katade, Pushpa V. Pawar, Vijay B. Tungikar, Amruta S. Tambe, Kamlakar M. Kalal, Radhika D. Wakharkar and Nirmala R. Deshpande
Structure      13C NMR   碳谱模拟图

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38 .     dipropyl disulphide
C6H14S2     相似度:50%
Phytochemistry          2001          57          743-747
Antifungal polysulphides from Petiveria alliacea L.
Paulo José Coelho Benevides, Maria Claudia M. Young, Astréa M. Giesbrecht,Nídia F. Roque, Vanderlan da S. Bolzani
Structure      13C NMR   碳谱模拟图

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39 .     1-hydroxydecane-2,5-dione
C10H18O3     相似度:50%
Journal of Natural Products          2008          71(8)          1423-1426
Sesquiterpenes and Aliphatic Diketones from Cultures of the Basidiomycete Conocybe siliginea
Zhong-Yu Zhou, Jian-Guo Tang, Fei Wang, Ze-Jun Dong, and Ji-Kai Liu
Structure      13C NMR   碳谱模拟图

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40 .     (R)-5-Ethylnonane-2,4-dione
    相似度:50%
Journal of Natural Products          2006          69          863-870
Ethyl-Branched Aldehydes, Ketones, and Diketones from Caimans (Caiman and Paleosuchus; Crocodylia, Reptilia)
Karsten Krckert, Birte Flachsbarth, Stefan Schulz, Ute Hentschel, and Paul J. Weldon
Structure      13C NMR   碳谱模拟图

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41 .     compound 14
    相似度:50%
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

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42 .     limaciamine
C17H33N3O2     相似度:50%
Journal of Natural Products          1998          61          285-286
Limaciamine, a New Diacylguanidine Isolated from the North Sea Nudibranch Limacia clavigera
Edmund I. Graziani and Raymond J. Andersen
Structure      13C NMR   碳谱模拟图

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43 .     cnidilide
    相似度:50%
Planta Medica          1987          53          77-80
cis- and trans-Neocnidilide; 1H- and '3C-NMR Data of Some Phthalides
Frederik C. Fischer1 and Marion J. M. Gijbels
Structure      13C NMR   碳谱模拟图

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44 .     lobosterol
    相似度:50%
Chemical & Pharmaceutical Bulletin          1991          39          297-300
Marine Sterols. XIX. Polyhydroxysterols of the Soft Corals of the Andaman and Nicobar Coasts. (3). Isolation and Structures of Five New C28 Polyhydroxysterols from Two Sclerophytum sp. Soft Corals
Masaru KOBAYASHI,Fuyuko KANDA,Chunduri Venkata Lakshmana RAO,Saridi Madhava Dileep KUMAR,Desaraju Venkata RAO and Chaganti Bheemasankara RAO
Structure      13C NMR   碳谱模拟图

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45 .     (2R,3R)-1,2,3-trihydroxydecane
    相似度:50%
Chemical & Pharmaceutical Bulletin          1990          38          1447-1450
Synthesis and Absolute Configurations of the Cytotoxic Polyacetylenes Isolated from the Callus of Panax ginseng
Yasuo FUJIMOTO,Mitsuru SATOH,Naoki TAKEUCHI and Makoto KIRISAWA
Structure      13C NMR   碳谱模拟图
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