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hby112

铁杆木虫 (正式写手)

[求助] 微谱求助

化合物1(氯仿):
26.77,120.83,125.02,127.34,128.25,128.36,141.99

化合物2(氯仿):
26.77,29.70,120.83,121.60,125.02,125.45,126.81,127.34,127.80,128.25,128.36, 141.99,143.28
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xiaoxiao032

新虫 (小有名气)

【答案】应助回帖

★ ★ ★ ★ ★
感谢参与,应助指数 +1
xiaoxiao270: 金币+5 2013-02-07 11:45:06
化合物1:
查询结果:共查到661个化合物(查询结果仅供参考)  
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1 .     N,N-dimethyl-10H-phenothiazine-10-carboxamide
C15H14N2OS     相似度:75%
Bioorganic & Medicinal Chemistry          2010          18          2232-2244
Differential binding of phenothiazine urea derivatives to wild-type human cholinesterases and butyrylcholinesterase mutants
Sultan Darvesh, Ian R. Pottie, Katherine V. Darvesh, Robert S. McDonald, Ryan Walsh, Sarah Conrad, Andrea Penwell, Diane Mataija, Earl Martin
Structure      13C NMR   碳谱模拟图

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2 .     3-Methylbiphenyl
    相似度:71.4%
Helvetica Chimica Acta          1981          64          801-812
Über den Anteil sigmatroper 1, 5-Wanderung von Kohlenwasserstoffgruppen bei der thermolytischen Skelettisomerisierung 5,5-disubstituierter 1, 3-Cyclohexadiene
Peter Schiess, Rolf Dinkel
Structure      13C NMR   碳谱模拟图

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3 .     4-Methyl-4-phenyl-1,3-cyclohexadien
    相似度:71.4%
Helvetica Chimica Acta          1981          64          801-812
Über den Anteil sigmatroper 1, 5-Wanderung von Kohlenwasserstoffgruppen bei der thermolytischen Skelettisomerisierung 5,5-disubstituierter 1, 3-Cyclohexadiene
Peter Schiess, Rolf Dinkel
Structure      13C NMR   碳谱模拟图

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4 .     1-Chloro-1-phenylethane
C8H9Cl     相似度:71.4%
Molecules          2011          16          5665-5673
Treatment of Alcohols with Tosyl Chloride Does Not always Lead to the Formation of Tosylates
Rui Ding, Yong He, Xiao Wang, Jingli Xu, Yurong Chen, Man Feng and Chuanmin Qi
Structure      13C NMR   碳谱模拟图

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5 .     9,10-diphenyltetracyclo[6.2.0.(4,10).0(5,9)]decane
    相似度:71.4%
Tetrahedron Letters          2000          41          1687-1690
Tandem 1,3-dipolar cycloaddition of mesoionic 2,4-diphenyl-1,3-oxathiolium-5-olate with cycloocta-1,5-diene. A new synthesis of the tetracyclo[6.2.0.04,10.05,9]decane ring system
William R. Sponholtz III, Hernando A. Trujillo, Gordon W. Gribble
Structure      13C NMR   碳谱模拟图

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6 .     1-phenyl-41,2,3]triazolo[4,5-d]pyridazine
C10H7N5     相似度:71.4%
Journal of Heterocyclic Chemistry          2000          37          1597-1602
Synthesis of 1-substituted [1,2,3]triazolo[4,5-d]pyridazines as precursors for novel tetraazapentalene derivatives
K. C. V. Ramanaiah, Edwin D. Stevens, Mark L. Trudell and Philip F. Pagoria
Structure      13C NMR   碳谱模拟图

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7 .     compound 2a
    相似度:71.4%
Indian Journal of Chemistry          2006          45B          2781-2783
New method for the synthesis of 1,3,5-triarylbenzenes
Jing,Xiaobi; Xu,Feng; Zhu,Qihua; Ren,Xinfeng; Li,Dong; Yan,Chaoguo; Shi,Yaocheng
Structure      13C NMR   碳谱模拟图

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8 .     N-(9H-fluoren-9-yl)hydroxylamine
C13H11NO     相似度:71.4%
Heterocycles          2011          82          1633-1644
Regiospecific Rearrangement of Hydroxylamines to Secondary Amines Using Diisobutylaluminum Hydride
Hidetsura Cho,* Kenji Sugimoto, Yusuke Iwama, Nakako Mitsuhashi, Kentaro Okano, and Hidetoshi Tokuyama*
Structure      13C NMR   碳谱模拟图

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9 .     N-(1-Phenylpropyl)hydroxylamine
C9H13NO     相似度:71.4%
Heterocycles          2011          82          1633-1644
Regiospecific Rearrangement of Hydroxylamines to Secondary Amines Using Diisobutylaluminum Hydride
Hidetsura Cho,* Kenji Sugimoto, Yusuke Iwama, Nakako Mitsuhashi, Kentaro Okano, and Hidetoshi Tokuyama*
Structure      13C NMR   碳谱模拟图

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10 .     biphenyl-4-yl-boronic acid [(4-biphenyl)dihydroxyborane]
    相似度:71.4%
Heterocycles          2002          57          871-879
Synthesis of 8-Substituted Xanthine Derivatives by Suzuki Cross-Coupling Reaction
Karl Vollmann and Christa E. Müller*
Structure      13C NMR   碳谱模拟图

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11 .     4-phenyl-1-trifluoromethylsulfonyl-1H-1,2,3-tri-azole
C9H6F3N3O2S     相似度:71.4%
Russian Journal of Organic Chemistry          2001          37          1797-1798
TrifluoromethanesulfonylAzideasaConvenientReagentforSynthesisofTriazoles
B. A. Shainyan and V. I. Meshcheryakov
Structure      13C NMR   碳谱模拟图
2楼2013-02-05 20:14:06
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hby112

铁杆木虫 (正式写手)

引用回帖:
2楼: Originally posted by xiaoxiao032 at 2013-02-05 20:14:06
化合物1:
查询结果:共查到661个化合物(查询结果仅供参考)  
--------------------------------------------------------------------------------

1 .     N,N-dimethyl-10H-phenothiazine-10-carboxamide
...

可否帮我查下第二个化合物的信息,谢谢了,我已经将原来波谱数据的格式核对了
化合物2(氯仿):
26.77,29.70,120.83,121.60,125.02,125.45,126.81,127.34,127.80,128.25,128.36,141.99,143.28
你怎么对待实验,实验就怎么对待你!
3楼2013-02-05 20:27:20
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xiaoxiao032

新虫 (小有名气)

【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
hby112: 金币+30, ★★★★★最佳答案, 谢谢了啊 2013-02-06 10:02:21
xiaoxiao270: 金币+5 2013-02-07 11:45:13
查询结果:共查到1779个化合物(查询结果仅供参考)  
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1 .     compound 2a
C18H19OBr     相似度:71.4%
Heterocycles          2003          61          365-376
Synthesis and Reaction of Bromoallylsilane: A Short Access to β,γ-Disubstituted α-Methylene-γ-butyrolactone
Jun'ichi Uenishi* and Masashi Ohmi
Structure      13C NMR   碳谱模拟图

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2 .     trans,trans-1,7-diphenyl-4,6-heptadien-3-one
C19H18O     相似度:69.2%
Chemical & Pharmaceutical Bulletin          1983          31          1544-1550
Studies on the Constituents of the Seeds of Alpinia katsumadai HAYATA
MASANORI KUROYANAGI,TADATAKA NORO,SEIGO FUKUSHIMA,RITSUO AIYAMA,AKIRA IKUTA,HIDEJI ITOKAWA and MAKOTO MORITA
Structure      13C NMR   碳谱模拟图

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3 .     4-phenyl-1-tritylpyrazole
C28H22N2     相似度:69.2%
Heterocycles          2006          68          2247-2252
Synthesis of 4-Arylpyrazoles via PdCl2(dppf)-Catalyzed Cross Coupling Reaction with Grignard Reagents
Hayato Ichikawa,* Yuuki Ohno, Yoshihide Usami, and Masao Arimoto
Structure      13C NMR   碳谱模拟图

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4 .     Compound 7
    相似度:69.2%
Magnetic Resonance in Chemistry          2008          46          697-700
13C and 15N NMR chemical shifts of 1-(2′, 4′-dinitrophenyl) and 1-(2′, 4′, 6′-trinitrophenyl) pyrazoles in the solid state and in solution (pages 697–700)
M. Ángeles García, Rosa M. Claramunt and José Elguero
Structure      13C NMR   碳谱模拟图

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5 .     1-(4-Fluorphenyl)-isochroman
C15H13FO     相似度:69.2%
Pharmazie          2002          57          346-347
1-Aryl-isochromane mit fluoxetinähnlicher Struktur
B. Unterhalt - U. Heppert
Structure      13C NMR   碳谱模拟图

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6 .     1-(2-quinolyl)-2-methylpropene
    相似度:69.2%
Tetrahedron Letters          2001          42          3847-3850
Expeditious preparation of 2-substituted quinolines
Mohamed A Fakhfakh, Xavier Franck, Alain Fournet, Reynald Hocquemiller, Bruno Figadère
Structure      13C NMR   碳谱模拟图

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7 .     2-(2-Naphthyl)ethylboronic acid
C36H33B3O3     相似度:69.2%
Bioorganic & Medicinal Chemistry          1994          2          35-48
Probing the specificity of the S1 binding site of subtilisin Carlsberg with boronic acids
Peter Seufer-Wasserthal, Valeri Martichonok, Thomas H. Keller, Bain Chin, Richard Martin, J.Bryan Jones
Structure      13C NMR   碳谱模拟图

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8 .     (E)-4-[4'-(Thien-3''-yl)phenylbut-3-en-2-one
C14H12OS     相似度:69.2%
Zeitschrift für Naturforschung B          2005          60          1299-1307
Combined Suzuki Coupling - Wittig Olefination Reaction in Aqueous Medium
K. Yamamoto, M. Watanabe, K. Ideta, S. Mataka, and T. Thiemann
Structure      13C NMR   碳谱模拟图

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9 .     5,15-bis(9-phenanthrenyl)-10,20-bis(2-phenylethenyl)porphyrin
C64H42N4     相似度:69.2%
European Journal of Organic Chemistry          2011                   5797-5816
5,15-A2B2- and 5,15-A2BC-Type Porphyrins with Donor and Acceptor Groups for Use in Nonlinear Optics and Photodynamic Therapy
Mathias O. Senge, Marijana Fazekas, Monica Pintea, Monika Zawadzka and Werner J. Blau
Structure      13C NMR   碳谱模拟图

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10 .     1,8-dichloro-10-phenylanthracene
C20H12Cl2     相似度:69.2%
European Journal of Organic Chemistry          2010                   3897-3907
The Effect of Bulky Substituents on the Formation of Symmetrically Trisubstituted Triptycenes
Jasmin Chmiel, Ingo Heesemann, Andreas Mix, Beate Neumann, Hans-Georg Stammler and Norbert W. Mitzel
Structure      13C NMR   碳谱模拟图

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11 .     compound (E)-3g
C17H17Br     相似度:69.2%
European Journal of Organic Chemistry          2010                   565-571
FeX3-Promoted Intermolecular Addition of Benzylic Alcohols to Aromatic Alkynes: A Mild and Efficient Strategy for the Synthesis of Alkenyl Halides
Kai Ren, Min Wang and Lei Wang
Structure      13C NMR   碳谱模拟图

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12 .     3-trifluoromethyl-5-(2-naphthyl)-pyrazole
C14H9N2F3     相似度:66.6%
Journal of Heterocyclic Chemistry          2003          40          659-664
2-(4-methylpyridin-2-yl)-1H-benzimidazole derivatives. Part II,lH nmr characterization
Ermanno Barni,Claudia Barolo,Pierluigi Quagliotto
4楼2013-02-06 09:33:10
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