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wei537113

铜虫 (小有名气)

[求助] 求助一个化合物的C谱数据 谢谢了

CDCL3 400MZ:
32.68,55.43,98.89,99.99,106.62,120.94,126.04,126.83,128.41,129.29,130.26,130.37,137.82,155.17,158.33
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kaola0916

铁杆木虫 (著名写手)

【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与,应助指数 +1
wei537113: 金币+15, ★★★很有帮助 2012-06-14 13:37:49
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
32.68,55.43,98.89,99.99,106.62,120.94,126.04,126.83,128.41,129.29,130.26,130.37,137.82,155.17,158.33


  
溶剂选项: 全部 CDCl3 CD3CD2OD CD2Cl2 C5D5N C3D7NO CD3SOCD3 C4D8O (CH3)4Si C4D8O2 CD3COOD C4D8O2 H2O D2O CF3COOD CD3OD ND3 CD3COCD3 C6D6 CD3CN 查询空值  
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952个化合物(查询结果仅供参考)  
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1 .     dalparvinene B
C16H16O3     相似度:87.5%
Fitoterapia          2011          82          1169-1174
Cytotoxicity of chemical constituents from the stems of Dalbergia parviflora
Uraiwan Songsiang, Chariya Hahnvajanawong, Chavi Yenjai
Structure      13C NMR   碳谱模拟图

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2 .     4-Hydroxy-2-methoxydihydrochalcone
C16H16O3     相似度:66.6%
Phytochemistry          1995          38          745-749
Flavonoids of dragon's blood from Dracaena cinnabari
Mohamed Masaoud, Helmut Ripperger, Andrea Porzel, Günter Adam
Structure      13C NMR   碳谱模拟图

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3 .     (Z)-4-(2-Amino-4-oxo-1H-imidazol-5(4H)-ylidene)-2-phenyl-4,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8(1H)-one
C17H15N5O2     相似度:66.6%
Bioorganic & Medicinal Chemistry          2012          20          1475-1481
Synthesis and evaluation of debromohymenialdisine-derived Chk2 inhibitors
Rahman Shah Zaib Saleem,Theresa A. Lansdell,Jetze J. Tepe
Structure      13C NMR   碳谱模拟图

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4 .     Comound 1a
    相似度:66.6%
Magnetic Resonance in Chemistry          2009          47          84-86
NMR analysis of a series of substituted pyrazolo[3, 4-d] pyrimidines-4-amines (pages 84–86)
Lígia M. Rodrigues, Aravind Sivasubramanian, Elisa M. Pinto, Ana M. F. Oliveira-Campos, Julio A. Seijas and M. Pilar Vázquez-Tato
Structure      13C NMR   碳谱模拟图

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5 .     2-[(2E)-3-(4-methoxyphenyl)-2-propen-1-yl]phenol
    相似度:66.6%
Bioorganic & Medicinal Chemistry          2009          17          7156-7173
Synthesis and biological evaluation of flavan-3-ol derivatives as positive modulators of GABAA receptors
Kenneth N. Mewett, Sebastian P. Fernandez, Anmol K. Pasricha, Alice Pong, Steven O. Devenish, David E. Hibbs, Mary Chebib, Graham A.R. Johnston, Jane R. Hanrahan
Structure      13C NMR   碳谱模拟图

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6 .     2-[(E)-3-(4-methoxyphenyl)-2-propen-1-yl]-5-(phenylmethoxy)phenol
    相似度:63.1%
Bioorganic & Medicinal Chemistry          2009          17          7156-7173
Synthesis and biological evaluation of flavan-3-ol derivatives as positive modulators of GABAA receptors
Kenneth N. Mewett, Sebastian P. Fernandez, Anmol K. Pasricha, Alice Pong, Steven O. Devenish, David E. Hibbs, Mary Chebib, Graham A.R. Johnston, Jane R. Hanrahan
Structure      13C NMR   碳谱模拟图

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7 .     (Z)-4-(2-(Methylamino)-4-oxo-1H-imidazol-5(4H)-ylidene)-2-phenyl-4,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8(1H)-one
C18H17N5O2     相似度:62.5%
Bioorganic & Medicinal Chemistry          2012          20          1475-1481
Synthesis and evaluation of debromohymenialdisine-derived Chk2 inhibitors
Rahman Shah Zaib Saleem,Theresa A. Lansdell,Jetze J. Tepe
Structure      13C NMR   碳谱模拟图

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8 .     2-(3-methoxyphenyl)quinoline
    相似度:62.5%
Journal of Heterocyclic Chemistry          2004          41          409-411
Consecutive isomerization and cyclization of 3-(2-aminophenyl)-1-arylprop-2-yn-1-ols leading to 2-arylquinolines in the presence of potassium hydroxide
Chan Sik Cho,Na Young Lee,Tae-Jeong Kim and Sang Chul Shim
Structure      13C NMR   碳谱模拟图

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9 .     Compound 6
C19H18O3     相似度:62.5%
Bioorganic & Medicinal Chemistry Letters          2007          17          461-464
Syntheses of hydroxy substituted 2-phenyl-naphthalenes as inhibitors of tyrosinase
Suhee Song, Hyojin Lee, Youngeup Jin, Young Mi Ha, Sungjin Bae, Hae Young Chung, Hongsuk Suh
Structure      13C NMR   碳谱模拟图

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10 .     cis-3,5-dimethoxyphenyl-2'-methoxyphenyl ethene
    相似度:62.5%
Magnetic Resonance in Chmesitry          2001          39          768-770
Complete assignment of the 1H and 13C NMR spectra of resveratrol derivatives
Dongsoo Koh, Kwan Ha Park, Jihyun Jung, Heejung Yang, K.Hun Mok and Yoongho Lim
Structure      13C NMR   碳谱模拟图

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11 .     1-(methoxymethoxy)-2-[(E)-3-(4-methoxyphenyl)-2-propen-1-yl]benzene
    相似度:62.5%
Bioorganic & Medicinal Chemistry          2009          17          7156-7173
Synthesis and biological evaluation of flavan-3-ol derivatives as positive modulators of GABAA receptors
Kenneth N. Mewett, Sebastian P. Fernandez, Anmol K. Pasricha, Alice Pong, Steven O. Devenish, David E. Hibbs, Mary Chebib, Graham A.R. Johnston, Jane R. Hanrahan
Structure      13C NMR   碳谱模拟图

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12 .     Welwitschin A
C18H20O4     相似度:62.5%
Journal of Natural Medicines          2011          65          313-321
Chemical studies on the roots of Uvaria welwitschii
Masataka Moriyasu ,Noriyoshi Nakatani ,Momoyo Ichimaru ,Yumi Nishiyama ,Atsushi Kato ,Simon G. Mathenge ,Francis D. Juma ,Patrick B. Chalo Mutiso
Structure      13C NMR   碳谱模拟图

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13 .     1-Cyclohexyl-3-(2-phenylquinazolin-4-yl) thiourea
C21H22N4S     相似度:61.1%
Molecules          2001          6          588-602
One-Pot Quinazolin-4-yl-thiourea Synthesis via N-(2-Cyanophenyl) benzimidoyl isothiocyanate
W. Fathalla, M. Čajan, J. Marek and P. Pazdera
Structure      13C NMR   碳谱模拟图

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14 .     1-cyclohexyl-3-(2-phenylquinazolin-4-yl)thiourea
C21H22N4S     相似度:61.1%
Journal of Heterocyclic Chemistry          2002          39          1145-1152
Reactivity study on morpholine-1-carbothioic acid (2-phenyl-3H-quinazolin-4-ylidene) amide
Walid Fathalla, Pavel Pazdera, Michal Čajan and Jaromír Marek
Structure      13C NMR   碳谱模拟图

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15 .     6-[5-(7-Cyanopyrazolo[1,5-a]pyrimidin-6-yl)-3,4-dimethylthieno[2,3-b]thiophen-2-yl]-2-phenylpyrazolo[1,5-a]pyrimidine-7-carbonitrile
C34H20N8S2     相似度:60%
Molecules          2009          14          1904-1914
Synthesis and Analysis of Some Bis-Heterocyclic Compounds Containing Sulphur
Yahia Nasser Mabkhoot
Structure      13C NMR   碳谱模拟图

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16 .     (Z)-3,5-Dimethoxystilbene
C16H16O2     相似度:60%
Journal of Asian Natural Products Research          2005          7          259-264
A new diterpenoid and active stilbenes from Pinus armandii heartwood
YOU-XING ZHAO, LU ZHOU, LIN GUO, XIAO-DONG LUO and JUN ZHOU
Structure      13C NMR   碳谱模拟图

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17 .     dalparvinene
C17H18O4     相似度:60%
Fitoterapia          2009          80          427-431
Bioactive constituents from the stems of Dalbergia parviflora
Uraiwan Songsiang, Suchana Wanich, Siripit Pitchuanchom, Siwames Netsopa,Komphet Uanporn, Chavi Yenjai
Structure      13C NMR   碳谱模拟图

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18 .     4'-hydroxy-7-methoxy-flavan-3-ol
C16H16O4     相似度:60%
Phytochemistry          2000          54          891-896
Minor phenolics from Crinum bulbispermum bulbs
M.A. Ramadan, M.S. Kamel, K. Ohtani, R. Kasai, K. Yamasaki
Structure      13C NMR   碳谱模拟图

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19 .     3-methoxy-5-hydroxystilbene (Z)
    相似度:60%
Phytochemistry          1998          47          1117-1123
Stilbenes, monoterpenes, diarylheptanoids, labdanes and chalcones from Alpinia katsumadai
Koon-Sin Ngo, Geoffrey D. Brown
Structure      13C NMR   碳谱模拟图

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20 .     3-hydroxyflavone
    相似度:60%
Journal of Natural Products          1990          Vol 53          638
Studies on Cytotoxic Constituents in Pericarps of Mallotus japonicus, V. Three New Phloroglucinol Derivatives, Butyrylmallotochromanol, Isobutyrylmallotochromanol, and Mallotojaponol
Munehisa Arisawa, Akio Fujita, Naokata Morita
Structure      13C NMR   碳谱模拟图

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21 .     (E)-4-hydroxy-3-methoxystibene
C15H16O2     相似度:60%
Phytochemistry          1992          31          3801-3806
Structure-fungicidal properties of some 3- and 4-hydroxylated stilbenes and bibenzyl analogues
T.P. Schultz, W.D. Boldin, T.H. Fisher, D.D. Nicholas, K.D. Mcmurtrey, K. Pobanz
Structure      13C NMR   碳谱模拟图

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22 .     3-Benzoxyl-6-methyl-7-methoxy-9-hydroxymethyl-phenanthren
    相似度:60%
Chemical Research in Chinese Universities          2008          24          445-448
Synthesis of 3-Benzyloxy-6-methyl-7-methoxyphenanthrene-9-carboxaldehyde with Utilize Intramolecular Heck Reaction as the Key Step
SONG Yan-ling, ZHAI Xin, SUN Zhi-feng, KIM Sang-hee and GONG Ping
Structure      13C NMR   碳谱模拟图

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23 .     11H-indeno[1,2-c]-isoquinoline
C16H11N     相似度:60%
Helvetica Chimica Acta          1978          61          444-448
Photolysis and Pyrolysis of N-Methyl Isoindole
Wolfgang Rettig and Jakob Wirz
Structure      13C NMR   碳谱模拟图

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24 .     (E)-2-((E)-4-(4-methoxybenzyloxy)but-2-enylidene)butane-1,4-diol
C16H22O4     相似度:60%
Organic Letters          2006          Vol. 8, No. 21          4883-4885
Total Synthesis of (±)-Clavubicyclone
Hisanaka Ito,Shunta Takeguchi, Takahiro Kawagishi, and Kazuo Iguchi
Structure      13C NMR   碳谱模拟图

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25 .     N-(4-Methoxyphenyl)-6-phenylpyrimidin-4-amine
C17H15N3O     相似度:60%
Molecules          2011          16          5550-5560
An Electrochemical Synthesis of Functionalized Arylpyrimidines from 4-Amino-6-Chloropyrimidines and Aryl Halides
Stéphane Sengmany, Erwan Le Gall and Eric Léonel
Structure      13C NMR   碳谱模拟图

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26 .     4-trifluoromethyl-6-biphenyl-2-acetylaminopyrimidine
C19H14F3N3O     相似度:60%
Journal of Heterocyclic Chemistry          2008          45          483-487
One-pot synthesis of N2-aminoprotected 6-substituted and cycloalka[d] 4-trifluoromethyl-2-acetylaminopyrimidines
Helio G. Bonacorso,Adriana Ferla,Cleber A. Cechinel,Nilo Zanatta and Marcos A. P. Martins
Structure      13C NMR   碳谱模拟图

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27 .     7-acetyl-2,6-diphemyl-2H-pyrrolo[2,1-c][1,2,4]triazole
C19H15N3O     相似度:60%
Journal of Heterocyclic Chemistry          2007          44          393-401
A new series of non-classical type C heteropentalenes: 2H-pyrrolo[2,1-c][1,2,4]triazoles
Dietrich Moderhack and Jan-Christoph Schneider
Structure      13C NMR   碳谱模拟图

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28 .     1-(p-chlorophenyl)-3-methylaminoisoquinoline
C16H13ClN2     相似度:60%
Journal of Heterocyclic Chemistry          2006          43          235-238
Convenient synthesis of N-substituted 1-alkyl and 1-aryl-3-aminoisoquinolines
Alicia S. Cánepa and Rodolfo D. Bravo
Structure      13C NMR   碳谱模拟图

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29 .     12H-benzo[5,6]chromeno[2,3-b]pyridin-12-one
C16H9NO2     相似度:60%
Heterocycles          2010          81          2555-2567
Synthesis of 1-Azaxanthones and 1-Azathioxanthones by Yb(OTf)3/TfOH Co-Catalyzed Intramolecular Friedel-Crafts Reaction
Jie Li, Can Jin, and Weike Su
Structure      13C NMR   碳谱模拟图

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30 .     2-amino-1-benzylideneamino-4-(4-methoxyphenyl)-1H-imidazole
    相似度:60%
Heterocycles          2009          78          691-698
Synthesis of Nitrogen-Containing Heterocycles 12. Reactions of 2-Amino-1-benzylideneamino-1H-imidazoles with Dimethyl Acetylenedicarboxylate
Yoshiko Miyamoto
Structure      13C NMR   碳谱模拟图

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31 .     4,6-diphenyl-1H-pyrimido[4,5-d]pyridazine-2,5-(1H,6H)-dione
C18H12O2N4     相似度:60%
Heterocycles          2009          78          937-946
A Convenient Route to New Pyrrolo[1,2-c]pyrimidone, Thiazolo[3,4-c]pyrimidone and Pyrimido[4,5-d]pyridazine Derivatives
Nabila A. Kheder, Yahia N. Mabkhot, and Ahmad M. Farag
Structure      13C NMR   碳谱模拟图

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32 .     1,5-diphenyl-3-(3-thienyl)pyrazole
C19H14N2S     相似度:60%
Heterocycles          2006          68          1209-1215
Microwave-promoted Aromatization of 1,3,5-trisubstituted 4,5-Dihydro-1H-pyrazoles by Calcium Hypochlorite under Solvent-free Conditions
Davood Azarifar* and Azadeh Gharshasbi
Structure      13C NMR   碳谱模拟图

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33 .     4-(2'-methoxyphenyl)-1-tritylpyrazole
C29H24N2O     相似度:60%
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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34 .     Methyl 3-(1-difluoromethyl-2-oxo-1,2-dihydropyridin-4-yl)phenylacetate
    相似度:60%
Bioorganic & Medicinal Chemistry Letters          2010          20          896-902
Phenylacetic acid regioisomers possessing a N-difluoromethyl-1,2-dihydropyrid-2-one pharmacophore: Evaluation as dual inhibitors of cyclooxygenases and 5-lipoxygenase with anti-inflammatory activity
Gang Yu, Morshed A. Chowdhury, Khaled R.A. Abdellatif, Ying Dong, P.N. Praveen Rao, Dipankar Das, Carlos A. Velázquez, Mavanur R. Suresh, Edward E. Knaus
Structure      13C NMR   碳谱模拟图

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35 .     2-(1-Difluoromethyl-2-oxo-1,2-dihydropyridin-4-yl)phenylacetic acid
C14H11F2NO3     相似度:60%
Bioorganic & Medicinal Chemistry Letters          2010          20          896-902
Phenylacetic acid regioisomers possessing a N-difluoromethyl-1,2-dihydropyrid-2-one pharmacophore: Evaluation as dual inhibitors of cyclooxygenases and 5-lipoxygenase with anti-inflammatory activity
Gang Yu, Morshed A. Chowdhury, Khaled R.A. Abdellatif, Ying Dong, P.N. Praveen Rao, Dipankar Das, Carlos A. Velázquez, Mavanur R. Suresh, Edward E. Knaus
Structure      13C NMR   碳谱模拟图

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36 .     Comound 2a
    相似度:60%
Magnetic Resonance in Chemistry          2009          47          84-86
NMR analysis of a series of substituted pyrazolo[3, 4-d] pyrimidines-4-amines (pages 84–86)
Lígia M. Rodrigues, Aravind Sivasubramanian, Elisa M. Pinto, Ana M. F. Oliveira-Campos, Julio A. Seijas and M. Pilar Vázquez-Tato
Structure      13C NMR   碳谱模拟图

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37 .     Comound 2f
    相似度:60%
Magnetic Resonance in Chemistry          2009          47          84-86
NMR analysis of a series of substituted pyrazolo[3, 4-d] pyrimidines-4-amines (pages 84–86)
Lígia M. Rodrigues, Aravind Sivasubramanian, Elisa M. Pinto, Ana M. F. Oliveira-Campos, Julio A. Seijas and M. Pilar Vázquez-Tato
Structure      13C NMR   碳谱模拟图

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38 .     Compound 1l
    相似度:60%
Magnetic Resonance in Chmesitry          2003          41          549-553
1H and 13C chemical shifts for acridines: Part XVIII. 9-Chloroacridine and 9-(N-allyl)-and 9-(N-propargyl)acridinamine derivatives
G. Roubaud, R. Faure and J.-P. Galy
Structure      13C NMR   碳谱模拟图

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39 .     4-(4-Chloro)benzylamino-6-methoxy-8-methylquinoline
C18H17ClN2O     相似度:60%
Pharmazie          2001          56          691-695
Synthesis and antibacterial activity of 5- and 6-hydroxy substituted 4-aminoquinolines and derivatives
T. Meyer - T. Lemcke - D. Geffken - P.-M Kaulfers
Structure      13C NMR   碳谱模拟图

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40 .     1-(2,4-difluorophenyl)-5-(4-tolyl)imidazole
    相似度:60%
Archives of Pharmacal Research          2005          28          1013-1018
Synthesis and antiinflammatory activity of 1,5-Diarylimidazoles
Truong Ngoc Tuyen, Kwang-Seog Sin, Hyun Pyo Kim and Haeil Park
Structure      13C NMR   碳谱模拟图

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41 .     compound 6b
C16H13NOS     相似度:60%
Tetrahedron Letters          2001          42          7037-7039
Complex base-induced generation of 3,4-dehydroquinoline: a new access to quinoline derivatives
Stéphanie Blanchard, Gérald Guillaumet, Paul Caubère
Structure      13C NMR   碳谱模拟图

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42 .     1,2-diphenyl-1-(pmethoxyphenyl)ethylene
C21H18O     相似度:60%
Tetrahedron Letters          2002          43          5537-5540
The [(E,E,E)-1,6,11-tris(p-toluenesulfonyl)-1,6,11-triazacyclopentadeca-3,8,13-triene]Pd(0) complex in the hydroarylation of alkynes in ionic liquids. An approach to quinolines
Sandro Cacchi, Giancarlo Fabrizi, Antonella Goggiamani, Marcial Moreno-Mañas, Adelina Vallribera
Structure      13C NMR   碳谱模拟图

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43 .     2-Hydroxyanthracene
    相似度:60%
Tetrahedron Letters          2003          44          1215-1219
Stereocontrolled synthesis of anthracene β-C-ribosides: fluorescent probes for photophysical studies of DNA
Robert S. Coleman, Mark A. Mortensen
Structure      13C NMR   碳谱模拟图

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44 .     compound 6a
    相似度:60%
Tetrahedron Letters          2003          44          2569-2572
Solid-phase synthesis of indolines via palladium-catalyzed cyclization
Yongping Yu, John M Ostresh, Richard A Houghten
Structure      13C NMR   碳谱模拟图

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45 .     compound 3e
    相似度:60%
Tetrahedron Letters          2003          44          4311-4314
Palladium-catalyzed cross-coupling reaction of allyl acetates with pinacol aryl- and vinylboronates
Giorgio Ortar
Structure      13C NMR   碳谱模拟图

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46 .     compound 3c
    相似度:60%
Tetrahedron Letters          2003          44          5791-5794
Regio- and selective synthesis of 4,6-disubstituted-2-pyridones
Khalil Cherry, Mohamed Abarbri, Jean-Luc Parrain, Alain Duchêne
Structure      13C NMR   碳谱模拟图

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47 .     compound cis-10
    相似度:60%
Tetrahedron Letters          2005          46          4719-4722
A novel approach to functionalized (E)-1,4-diaryl-1-butenes by Heck reaction and their applications for the construction of dibenzylbutyrolactone lignan skeletons by radical cyclization
Rekha Singh, Gobind C. Singh, Sunil K. Ghosh
Structure      13C NMR   碳谱模拟图

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48 .     2-(1-(4-(Trifluoromethyl)phenyl)-1H-tetrazol-5-yl)quinoline
C17H10F3N5     相似度:60%
Tetrahedron Letters          2005          46          4851-4854
Reaction of N-fluoropyridinium fluoride with isonitriles and TMSN3: a convenient one-pot synthesis of tetrazol-5-yl pyridines
Alexander S. Kiselyov
Structure      13C NMR   碳谱模拟图

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49 .     3-Hydroxy-7-methoxy-2-phenyl-4H-chromen-4-one
    相似度:60%
Archiv der Pharmazie          2000          333          226-230
Diazabicyclo[3.3.1]nonanone-type Ligands for the Opioid Receptors
Ulrich Kuhl, Werner Englberger, Michael Haurand and Ulrike Holzgrabe
Structure      13C NMR   碳谱模拟图

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50 .     (Z)-1-(3'-Azido-4'-methoxyphenyl)-2-(3'',4'',5''-trimethoxy-phenyl)ethene
C18H19N3O4     相似度:60%
Bioorganic & Medicinal Chemistry          2000          8          2417-2425
Synthesis and biological evaluation of aryl azide derivatives of combretastatin a-4 as molecular probes for tubulin
Kevin G Pinney, Maria P Mejia, Victor M Villalobos, Brent E Rosenquist, George R Pettit, Pascal Verdier-Pinard, Ernest Hamel
Structure      13C NMR   碳谱模拟图
2楼2012-06-14 13:18:48
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