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yjl2007

金虫 (正式写手)

[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:
14.1, 22.6, 25.4, 27.8, 29.4, 31.5, 37.3, 73.1, 126.1, 127.8, 133.4, 135.9
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wq0616

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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+20 2013-01-12 16:58:23
1 .     3(ζ)-hydroxy-octadeca-4(E),6(Z)-dienoic acid
C18H32O3     相似度:80%
Phytochemistry          2006          67          1530-1533
Antimicrobial constituents of Scrophularia deserti
Michael Stavri, K.T. Mathew, Simon Gibbons
Structure      13C NMR   碳谱模拟图

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2 .     1,2,4,5-tetrabromo-6-hexyloxy-3-methylbenzene
C13H16OBr4     相似度:75%
Heterocycles          2001          55          1663-1678
Synthesis of 3-Substituted Isoindolin-1-ones by Regioselective Cyclization of Nitrile with a Styryl Double Bond
Fen-Tair Luo* and Chin-Hsin Chen
Structure      13C NMR   碳谱模拟图

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3 .     (9E,11Z) 14-Hydroxyoctadecan-9,11-dienoic acid
C18H32O3     相似度:70.5%
Natural Product Communications          2006          1          101-107
Constituents of Erythrina lysistemon: Their Brine ShrimpLethality, Antimicrobial and Radical Scavenging Activities
Benard F. Juma and Runner R. T. Majinda
Structure      13C NMR   碳谱模拟图

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4 .     6-Bromo-1-(4-ethylphenyl)hexan-1-one
    相似度:66.6%
Molecules          2008          13          1081-1110
Identification of Terfenadine as an Inhibitor of Human CD81-Receptor HCV-E2 Interaction: Synthesis and Structure Optimization
Marcel Holzer, Sigrid Ziegler, Beatrice Albrecht, Bernd Kronenberger, Artur Kaul, Ralf Bartenschlager, Lars Kattner, Christian D. Klein and Rolf W. Hartmann
Structure      13C NMR   碳谱模拟图

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5 .     (–)-argentilactone
    相似度:66.6%
Natural Product Research          2003          17          275-280
Antiprotozoal 6-Substituted-5,6-Dihydro-a-Pyrones from Raimondia CF. Monoica
Doris Carmona; Jairo Sáez; Hillmer Granados; Edwin Pérez; Silvia Blair; Alberto Angulo; Bruno Figadere
Structure      13C NMR   碳谱模拟图

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6 .     4-Iodo-5-(phenylsulfonyl)octane major isomer
    相似度:66.6%
Canadian Journal of Chemistry          2006          84          667-675
Iodosulfonation of alkenes with benzenesulfinic acid - N-iodosuccinimide - Facile preparation of α,β-unsaturated sulfones1
Russell R. Wolff, Vikram Basava, Robert M. Giuliano, Walter J. Boyko, and J. Herman Schauble
Structure      13C NMR   碳谱模拟图

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7 .     (Z)-1(2-nonenyl)piperidine
C14H27N     相似度:66.6%
Organic letters          1999          1          265-267
Complete Retention of Z Geometry in Allylic Substitution Catalyzed by an Iridium Complex
Ryo Takeuchi and Norihito Shiga
Structure      13C NMR   碳谱模拟图

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8 .     (S)-(E)-3-decen-1,2-diol
C10H20O2     相似度:66.6%
Tetrahedron Letters          2002          43          6933-6936
Enzyme-mediated enantioselective hydrolysis of cyclic carbonates bearing an unsaturated substituent
Kazutsugu Matsumoto, Yasuhide Nakamura, Megumi Shimojo, Minoru Hatanaka
Structure      13C NMR   碳谱模拟图

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9 .     (R)-argentilactone
    相似度:66.6%
Tetrahedron Letters          2003          44          8721-8724
Total syntheses of (R)-argentilactone and (R)-goniothalamin via catalytic enantioselective allylation of aldehydes
Ângelo de Fátima, Ronaldo Aloise Pilli
Structure      13C NMR   碳谱模拟图

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10 .     2,4-Dipropylphenol
    相似度:66.6%
Bioorganic & Medicinal Chemistry          1998          6          1517-1524
XH-14 analogues as adenosine antagonists
Peter J. Scammells, Stephen P. Baker, Anthony R. Beauglehole
Structure      13C NMR   碳谱模拟图

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11 .     1-Octen-2-yl phenyl sulfide
    相似度:66.6%
Tetrahedron          2011          67          10212-10215
Ruthenium-catalyzed reaction of alkenyl triflates with zinc thiolates
Yusuke Imazaki, Eiji Shirakawa, Tamio Hayashi
Structure      13C NMR   碳谱模拟图

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12 .     bromohexylmaleic anhydride
    相似度:66.6%
Bioorganic & Medicinal Chemistry          2010          18          5224-5233
Structure–activity relationship of brominated 3-alkyl-5-methylene-2(5H)-furanones and alkylmaleic anhydrides as inhibitors of Salmonella biofilm formation and quorum sensing regulated bioluminescence in Vibrio harveyi
Hans P. Steenackers, Jeremy Levin, Joost C. Janssens, Ami De Weerdt, Jan Balzarini, Jos Vanderleyden, Dirk E. De Vos, Sigrid C. De Keersmaecker
Structure      13C NMR   碳谱模拟图

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13 .     compound (2E,4E)-IIId
    相似度:66.6%
Russian Journal of Organic Chemistry          2001          37          633-639
(2E)-4,4-Dimethoxy-2-butenal in the Synthesis of Conjugated Dienes and Dienals
Sh. O. Badanyan, G. M. Makaryan, A. L. Ovanesyan and G. A. Panosyan
Structure      13C NMR   碳谱模拟图

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14 .     5,5'-dibromo-4,4'-bis(octylsulfanyl)-2,2'-bithiophene
C24H36Br2S4     相似度:66.6%
European Journal of Organic Chemistry          2011                   5659-5667
(Alkylsulfanyl)bithiophene-alt-Fluorene: π-Conjugated Polymers for Organic Solar Cells
Francesca Parenti, Pasquale Morvillo, Eugenia Bobeico, Rosita Diana, Massimiliano Lanzi, Claudio Fontanesi, Francesco Tassinari, Luisa Schenetti and Adele Mucci
Structure      13C NMR   碳谱模拟图

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15 .     1-(2,3-dibromophenyl)hexan-1-ol
C12H16Br2O     相似度:66.6%
European Journal of Organic Chemistry          2011                   327-340
Efficient and Complementary Methods Offering Access to Synthetically Valuable 1,2-Dibromobenzenes
Vincent Diemer, Frédéric R. Leroux and Françoise Colobert
Structure      13C NMR   碳谱模拟图

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16 .     (E)-hept-1-enyl(dimethyl)phenylsilane
    相似度:66.6%
Tetrahedron          2012          68          8724-8731
Reaction of hydrosilanes with alkynes catalyzed by gold nanoparticles supported on TiO2Original Research Article
Androniki Psyllaki, Ioannis N. Lykakis, Manolis Stratakis
Structure      13C NMR   碳谱模拟图

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17 .     5-(Hexylthiomethyl)pyrrolidin-2-ol
    相似度:66.6%
Bioorganic & Medicinal Chemistry          2011          19          5500-5506
Substituted lactam and cyclic azahemiacetals modulate Pseudomonas aeruginosa quorum sensing
Venkata L.A. Malladi, Adam J. Sobczak, Natalie Maricic, Senthil Kumar Murugapiran, Lisa Schneper, John Makemson, Kalai Mathee, Stanislaw F. Wnuk
Structure      13C NMR   碳谱模拟图

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18 .     1-(2-(Butylselanyl)phenyl)ethanone
C12H16OSe     相似度:66.6%
Journal of the Brazilian Chemical Society          2010          21          2108-2118
Chemoenzymatic Synthesis of Organoselenium(IV) Compounds and their Evaluation as Cysteine Protease Inhibitors
Leandro Piovan, Márcio F. M. Alves, Luiz Juliano, Dieter Brömme, Rodrigo L. O. R. Cunha and Leandro H. Andrade
Structure      13C NMR   碳谱模拟图

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19 .     (R)-6-[(Z)-1-heptenyl]-5,6-dihydro-2H-pyran-2-one
    相似度:66.6%
Journal of the Brazilian Chemical Society          2004          15          756-759
Chemical Composition and Antifungal Activity of the Essential Oil of Hyptis ovalifolia Benth. (Lamiaceae)
Cecília M. A. de Oliveira, Maria do Rosário R. Silva, Lucília Kato, Cleuza C. da Silva, Heleno D. Ferreira and Lúcia K. H. Souza
Structure      13C NMR   碳谱模拟图

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20 .     (Z)-1-cyclohexylhex-1-ene
C12H22     相似度:66.6%
Tetrahedron          2012          68          7834-7839
Poly(propylene sulfide)–borane: convenient and versatile reagent for organic synthesis
Keith Smith, Asim A. Balakit, Gamal A. El-Hiti
Structure      13C NMR   碳谱模拟图

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21 .     But-1-ynyl(phenyl)selane
    相似度:66.6%
Tetrahedron          2012          68          10426-10430
An efficient synthesis of alkynyl selenides and tellurides from terminal acetylenes and diorganyl diselenides or ditellurides catalyzed by recyclable copper oxide nanopowder
Marcelo Godoi, Eduardo W. Ricardo, Tiago E. Frizon, Manuela S.T. Rocha, Devender Singh, Márcio W. Paixão, Antonio Luiz Braga
Structure      13C NMR   碳谱模拟图

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22 .     (2R,3S,4R,5E/Z)-3,4-O-Isopropylidene-1-O-trityloxy-non-5-en-2-ol
C31H36O4     相似度:64.2%
Bioorganic & Medicinal Chemistry          2011          19          221-228
Synthesis of truncated analogues of the iNKT cell agonist,α-galactosyl ceramide (KRN7000), and their biological evaluation
Natacha Veerapen, Faye Reddington, Mariolina Salio, Vincenzo Cerundolo, Gurdyal S. Besra
Structure      13C NMR   碳谱模拟图

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23 .     compound 6h
C16H23N3     相似度:64.2%
Heterocycles          2009          78          645-655
Copper(I)-Catalyzed Direct Arylation of 1,4-Disubstituted 1,2,3-Triazoles with Aryl Iodides
Shin-ichi Fukuzawa, Eiji Shimizu, and Kenichi Ogata
Structure      13C NMR   碳谱模拟图

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24 .     (R)-1-(2-(butylselanyl)phenyl)ethyl acetate
C14H20OSe     相似度:64.2%
Journal of the Brazilian Chemical Society          2010          21          2108-2118
Chemoenzymatic Synthesis of Organoselenium(IV) Compounds and their Evaluation as Cysteine Protease Inhibitors
Leandro Piovan, Márcio F. M. Alves, Luiz Juliano, Dieter Brömme, Rodrigo L. O. R. Cunha and Leandro H. Andrade
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




25 .     7-methoxyeicos-4(E)-enoic acid
    相似度:61.5%
Journal of Natural Products          1999          62          1696-1699
Serinol-Derived Malyngamides from an Australian Cyanobacterium
Feng Wan and Karen L. Erickson
Structure      13C NMR   碳谱模拟图

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26 .     cinnamyl hexanoate
C15H20O2     相似度:61.5%
Canadian Journal of Chemistry          2005          83          569-573
Pd(0)-PhCOOH catalyzed addition of oxygen pronucleophiles to allenes and internal alkynes1
Nitin T. Patil, Nirmal K. Pahadi, and Yoshinori Yamamoto
Structure      13C NMR   碳谱模拟图

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27 .     (E)-3-(2-Butyl-4-chloro-1-methyl-1H-imidazol-5-yl)-1-(5-chlorothiophen-2-yl)prop-2-enone
C15H16Cl2N2OS     相似度:61.5%
Bioorganic & Medicinal Chemistry          2011          19          4772-4781
Synthesis and evaluation of novel 2-butyl-4-chloro-1-methylimidazole embedded chalcones and pyrazoles as angiotensin converting enzyme (ACE) inhibitors
Srinivas Kantevari, Dinesh Addla, Pankaj K. Bagul, Balasubramanian Sridhar, Sanjay K. Banerjee
Structure      13C NMR   碳谱模拟图

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28 .     (±)(2SR,3SR,5SR)-2-butyl-3-phenylsulfanyl-tetrahydropyran-5-ol
C15H22O2S     相似度:61.5%
Journal of Heterocyclic Chemistry          2001          38          765-767
Kinetic and thermodynamic control in the cyclization via thiiranium ions. Stereoselective synthesis of a 2,3,5-trisubstituted tetrahydropyran ring
Michelangelo Gruttadauria and Renato Noto
Structure      13C NMR   碳谱模拟图

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29 .     2-(2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)propan-2-ol
C13H19NO     相似度:61.5%
Heterocycles          2004          63          401-409
Alkali Metal-mediated Synthesis of 1- and 4-Substituted N-Alkyl-1,2,3,4-tetrahydroisoquinolines
Ugo Azzena,* Luisa Pisano, and Mario Pittalis
Structure      13C NMR   碳谱模拟图

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30 .     Compound 13
    相似度:61.5%
Bioorganic & Medicinal Chemistry Letters          1993          3          1629-1632
Synthesis of a biologically active chlorinated analog of (E,E)-8,10- dodecadienol (codlemone)
Frédérique Tellier, Abdelhay Hammoud, Victoria Ratovelomanana, Gérard Linstrumelle, Charles Descoins
Structure      13C NMR   碳谱模拟图
艰难困苦,玉汝于成。
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