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yyzhou

金虫 (小有名气)

[求助] 求微谱数据

13C NMR (氘代氯仿) δ 145.31, 139.74, 131.32, 131.14, 124.68, 124.14, 119.70, 119.61, 118.09, 117.98, 117.10, 110.70, 60.82, 29.82, 16.24.
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yyzhou

金虫 (小有名气)

纠正一下:上述最后一个数据不是
13C NMR (氘代氯仿) δ 145.31, 139.74, 131.32, 131.14, 124.68, 124.14, 119.70, 119.61, 118.09, 117.98, 117.10, 110.70, 60.82, 29.82
2楼2013-02-28 21:45:22
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wq0616

铁杆木虫 (正式写手)

【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与,应助指数 +1
jiangchunyong: 金币+1, 谢谢 2013-03-01 09:11:45
yyzhou: 金币+10, ★★★★★最佳答案, 谢谢 2013-03-01 18:04:43
1 .     corallinafuran
C13H7Br3O2     相似度:69.2%
Chemistry Letters          2005          34          1272-1273
Corallinafuran and Corallinaether, Novel Toxic Compounds from Crustose Coralline Red Algae
Makoto Kitamura, Tomoyuki Koyama, Yoshikatsu Nakano and Daisuke Uemura
Structure      13C NMR   碳谱模拟图

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2 .     1-(3,4-dichlorophenyl)-3-(2-hydroxy-4-nitrophenyl) urea
C13H9Cl2N3O4     相似度:69.2%
Bioorganic & Medicinal Chemistry          2009          17          8102-8112
Structural optimization of a CXCR2-directed antagonist that indirectly inhibits γ-secretase and reduces Aβ
Pancham Bakshi, Chao Jin, Pierre Broutin, Beniam Berhane, Jon Reed, Michael Mullan
Structure      13C NMR   碳谱模拟图

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3 .     compound 16
    相似度:64.2%
Tetrahedron Letters          2002          43          7781-7783
Combined Claisen rearrangement and ring-closing metathesis as a route to oxepin- and oxocin-annulated coumarins
Shital K. Chattopadhyay, Susama Maity, Srikanta Panja
Structure      13C NMR   碳谱模拟图

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4 .     (S)-2,2′-dimethoxy-1,1′-binaphthyl-5,5′,6,6′-tetraol
C22H18O6     相似度:61.5%
Journal of Natural Products          2007          70          1824-1826
Cytotoxic Metabolites from an Indonesian Sponge Lendenfeldia sp.
Jingqiu Dai,Yang Liu,Yu-Dong Zhou, and Dale G. Nagle
Structure      13C NMR   碳谱模拟图

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5 .     Lavendustin B
    相似度:61.5%
Journal of Natural Products          1989          Vol 52          1252
Isolation of a Novel Tyrosine Kinase Inhibitor, Lavendustin A, from Streptomyces griseolavendus
Toshihiko Onoda, Hironobu Iinuma, Yumi Sasaki, Masa Hamada, Kunio Isshiki, Hiroshi Naganawa, Tomio Takeuchi, Kuniaki Tatsuta, Kazuo Umezawa
Structure      13C NMR   碳谱模拟图

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6 .     compound trans 1a
C11H13NO2     相似度:61.5%
Journal of Heterocyclic Chemistry          2002          39          61-67
Photocyclization reactions. Part 8. Synthesis of 2-quinolone, quinoline and coumarin derivatives using trans-cis isomerization by photoreaction
Takaaki Horaguchi, Nobuyuki Hosokawa, Kiyoshi Tanemura and Tsuneo Suzuki
Structure      13C NMR   碳谱模拟图

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7 .     2-(2-azidophenylmethyl)-2H-(5-chlorobenzotriazole)
C13H9ClN6     相似度:61.5%
Journal of Heterocyclic Chemistry          2010          47          98-111
n-Butyllithium-mediated reactions of 1-(2-azidoarylmethyl)- 1H-benzotriazoles with alkyl halides
Taehoon Kim and Kyongtae Kim
Structure      13C NMR   碳谱模拟图

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8 .     6-Phenoxy-2H-chromen-2-one
C15H10O3     相似度:61.5%
Tetrahedron Letters          2005          46          5285-5287
One-pot synthesis of ortho-hydroxycinnamate esters
Hany F. Anwar, Lars Skattebøl, Jan Skramstad, Trond Vidar Hansen
Structure      13C NMR   碳谱模拟图

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9 .     compound 7a
    相似度:61.5%
Archiv der Pharmazie          2006          339          608-615
Novel Synthesis of 1,3,4-Thiadiazine Derivatives and Their Cycloaddition Reactions
Wagnat W. Wardakhan
Structure      13C NMR   碳谱模拟图

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




10 .     compound 2d
C13H9Cl2NO2     相似度:61.5%
Archiv der Pharmazie          2003          336          53-71
Relationship between the Structure and Antimycobacterial Activity of Substituted Salicylanilides
Karel Waisser, Otakar Bureš, Pavel Holý, Jiří Kuneš, Radek Oswald, Lucie Jirásková, Milan Pour, Věra Klimešová, Lenka Kubicová and Jarmila Kaustová
Structure      13C NMR   碳谱模拟图

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




11 .     3,5-dibromo-2-(2'-methoxy-3',5'-dibromophenoxy)phenol
    相似度:61.5%
The Journal of Organic Chemistry          1997          62          3810-3819
Longithorones, Unique Prenylated Para-and Metacyclophane Type Quinones from the Tunicate Aplidium longithorax
Xiong Fu, M. Bilayet Hossain, Francis J. Schmitz, and Dick van der Helm
Structure      13C NMR   碳谱模拟图

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




12 .     compound
C13H8Br4O3     相似度:61.5%
Journal of Natural Products          2012          75          1125-1129
Structural Reassignment of a Marine Metabolite from a Binaphthalenetetrol to a Tetrabrominated Diphenyl Ether
Erin E. Podlesny and Marisa C. Kozlowski
Structure      13C NMR   碳谱模拟图

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




13 .     compound 8
    相似度:61.5%
Journal of Natural Products          2012          75          1125-1129
Structural Reassignment of a Marine Metabolite from a Binaphthalenetetrol to a Tetrabrominated Diphenyl Ether
Erin E. Podlesny and Marisa C. Kozlowski
Structure      13C NMR   碳谱模拟图

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




14 .     4-Chloro-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
C14H9ClF3NO2     相似度:61.5%
Molecules          2012          17          9426-9442
Antifungal Activity of Salicylanilides and Their Esters with 4-(Trifluoromethyl)benzoic Acid
Martin Krátký and Jarmila Vinšová
Structure      13C NMR   碳谱模拟图

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




15 .     2'-hydroxyflavonol
    相似度:60%
Magnetic Resonance in Chemistry          2005          43          858-860
Complete assignment of 1H and 13C NMR data of some flavonol derivatives
Byoung-Ho Moon, Youngshim Lee, Joong-Hoon Ahn and Yoongho Lim
Structure      13C NMR   碳谱模拟图

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




16 .     3-amino-benzimidazo[1,2-a]quinoline
C15H11N3     相似度:60%
Bioorganic & Medicinal Chemistry          2011          19          6329-6339
Novel biologically active nitro and amino substituted benzimidazo[1,2-a]quinolines
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Structure      13C NMR   碳谱模拟图

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




17 .     2-bromo-11H-indolo[3,2-c]quinoline
C15H9N2Br     相似度:60%
Bioorganic & Medicinal Chemistry          2011          19          7519-7525
Synthesis and antimalarial evaluation of novel isocryptolepine derivatives
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Structure      13C NMR   碳谱模拟图

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




18 .     3-[3-(3-hydroxyphenyl)furan-2-yl]quinuclidin-2-ene hydrochloride
C17H17NO2     相似度:60%
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Antimuscarinic 3-(2-Furanyl)quinuclidin-2-ene Derivatives:  Synthesis and Structure−Activity Relationships
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Structure      13C NMR   碳谱模拟图

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




19 .     12,15-difluoro[e]canthin-6-one
C18H8F2N2O     相似度:58.8%
Journal of Natural Products          2005          68          1581-1587
Extraction, Hemisynthesis, and Synthesis of Canthin-6-one Analogues. Evaluation of Their Antifungal Activities
Flor Soriano-Agatn, Delphine Lagoutte, Erwan Poupon, Franois Roblot,Alain Fournet, Jean-Charles Gantier, and Reynald Hocquemiller
Structure      13C NMR   碳谱模拟图

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




20 .     canthin-6-one
    相似度:57.1%
Journal of Natural Products          2005          68          1581-1587
Extraction, Hemisynthesis, and Synthesis of Canthin-6-one Analogues. Evaluation of Their Antifungal Activities
Flor Soriano-Agatn, Delphine Lagoutte, Erwan Poupon, Franois Roblot,Alain Fournet, Jean-Charles Gantier, and Reynald Hocquemiller
Structure      13C NMR   碳谱模拟图

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




21 .     3-cyano-6-nitro-2-phenyl-4H-1-benzopyran
C16H10N2O3     相似度:57.1%
Journal of Heterocyclic Chemistry          2008          45          547-550
4H-1-Benzopyrans by a tandem SN2-SNAr reaction
Richard A. Bunce,David Rogers,Takahiro Nago and Scott A. Bryant
Structure      13C NMR   碳谱模拟图

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




22 .     canthin-6-one
C14H8N2O     相似度:57.1%
Chinese Traditional and Herbal Drugs          2008          39          1776-1778
Chemical constituents of Russula virescens
TANG Jian-guo; SHAO Hong-jun; LIU Ji-kai
Structure      13C NMR   碳谱模拟图
艰难困苦,玉汝于成。
3楼2013-03-01 08:06:05
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yyzhou

金虫 (小有名气)

4楼2013-03-01 18:03:56
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