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1 .     Lumichrome
C12H10N4O2     相似度:100%
Magnetic Resonance in Chemistry          2009          47          366-370
1H and 13C NMR assignments of eight nitrogen containing compounds from Nocardia alba sp.nov (YIM 30243T) (pages 366–370)
Zhang-Gui Ding, Jiang-Yuan Zhao, Pei-Wen Yang, Ming-Gang Li, Rong Huang, Xiao-Long Cui and Meng-Liang Wen
Structure      13C NMR   碳谱模拟图
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2 .     isolumichrome
    相似度:100%
Journal of Shenyang Pharmaceutical University          2010          27          279-281
Isolation and identification of the secondarymetabolites from marine bacteria NJ6-3-1
WANG Yu-bo, ZHENG Li, LI Wen, PEI Yue-hu
Structure      13C NMR   碳谱模拟图
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3 .     7,8-dimethyl-iso-alloxazine
    相似度:100%
Journal of Shenyang Pharmaceutical University          2003          20          101-103
Studies on the chemical constituents in the culture liquid of Cordyceps militaris (L.) Link. (I)
MA Xiao-chi, HUANG Jian, LIU Dan, WU Li-jun
Structure      13C NMR   碳谱模拟图
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4 .     7,8-dimethylalloxazine
C12H10N4O2     相似度:83.3%
Journal of Shenyang Pharmaceutical University          2000          17          260-262
Studies on the Chemical Constituents from the Skin of Bufo bufogargarizans Cantor
Yang Lihong, Jin Xiangqun, Zhang Wei
Structure      13C NMR   碳谱模拟图
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5 .     8-hydroxy-3-(4-methylphenyl)-2H-1,3-benzoxazine-2,4(3H)-dione
C15H11NO4     相似度:69.2%
Journal of Heterocyclic Chemistry          2009          46          873-880
Synthesis and antifungal evaluation of hydroxy-3-phenyl-2H-1,3-benzoxazine-2,4(3H)-diones and their thioanalogs
Pavel Skála,Miloš Macháček,Marcela Vejsová,Lenka Kubicová,Jiří Kuneš and Karel Waisser
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

6 .     [1-(4-Nitrophenyl)-5-(trifluoromethyl)-1H-1,2,3-triazol-4-yl](thien-2-yl)methanone
C14H7F3N4O3S     相似度:66.6%
Tetrahedron          2012          68          614-618
Regioselective synthesis of 5-trifluoromethyl-1,2,3-triazoles via CF3-directed cyclization of 1-trifluoromethyl-1,3-dicarbonyl compounds with azides
Yury A. Rozin, Johann Leban, Wim Dehaen, Valentine G. Nenajdenko, Vasiliy M. Muzalevskiy, Oleg S. Eltsov, Vasiliy A. Bakulev
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

7 .     1-[(5'-Methyl-1'-(4''-chlorophenylamino)-1H-1,2,3-triazol-4'-yl)carbonyl]-2-(phenylsulfonyl)hydrazine
    相似度:58.3%
Bioorganic & Medicinal Chemistry          2011          19          1860-1865
Synthesis and anti-HSV-1 activity of new 1,2,3-triazole derivatives
Alessandro K. Jordão, Vitor F. Ferreira, Thiago M. L. Souza, Gabrielle G. de Souza Faria,Viviane Machado, Juliana L. Abrantes, Maria C. B. V. de Souza, Anna C. Cunha
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

8 .     5-bromo-1-(mesitylmethyl)pyrimidine-2,4(1H,3H)-dione
    相似度:58.3%
Journal of Heterocyclic Chemistry          2008          45          1161-1166
Synthesis and anti-HIV-1 evaluation of 1,5-disubstituted pyrimidine-2,4-diones
Yasser M. Loksha,Daniel Globisch,Erik B. Pedersen,Paolo La Colla,Gabriella Collu and Roberta Loddo
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

9 .     6-(3,5-dimethylbenzyl)pyridazin-3(2H)-one
C13H14NaN2O     相似度:58.3%
Journal of Heterocyclic Chemistry          2007          44          1351-1356
Synthesis of some novel 2,6-disubstituted pyridazin-3-ones as TMC120 analogues
Yasser M. Loksha,Erik B. Pedersen,Paolo La Colla and Roberta Loddo
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

10 .     2,9-bis(6-bromopyridin-2-ylcarbonyl)-1,10-phenanthroline
C24H12Br2N4O2     相似度:58.3%
Journal of Heterocyclic Chemistry          2004          41          795-798
Synthesis of 2,9-diacyl-1,10-phenanthrolines
A. Paul Krapcho and Akbar Ali
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

11 .     compound 2e
    相似度:58.3%
Journal of Heterocyclic Chemistry          2002          39          1219-1228
Determination of aromaticity indices of thiophene and furan by nuclear magnetic resonance spectroscopic analysis of their anilides
Chang Kiu Lee, Ji Sook Yu and Young Ran Ji
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

12 .     N-(4-chloro-phenyl)-3,7-dimethyl-4-oxo-4,6-dihydropyra-zolo[5,1-c][1,2,4]triazine-8-carboxamide
C14H12ClN5O2     相似度:58.3%
Journal of Heterocyclic Chemistry          2001          38          711-716
Synthesis of some novel 3,7-dimethyl-4H-pyrazolo[5,1-c][1,2,4]triazin-4-ones
Ahmed A. El-Barbary, Mahmoud A. El-Badawi and Yasser M. Loksha
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

13 .     3-(3-tolyl)adenine
C12H11N5     相似度:58.3%
Heterocycles          2009          78          1205-1216
Copper-Mediated N-Arylation in the Synthesis of Aryladenines
Jan Krouželka and Igor Linhart
Structure      13C NMR   碳谱模拟图
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14 .     6-methyl-9-(4-methylphenyl)-9H-purine-6-carboximidamide
C14H14N6O     相似度:58.3%
Heterocycles          2009          78          2245-2262
Reactions of 9-Aryl-6-cyanopurines with Primary Amines
Amal Al-Azmi and K. Anita Kumari
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

15 .     compound 4e
    相似度:58.3%
Heterocycles          2007          71          153-164
Positional Effect on the NMR Spectroscopy of Esters and Amides of 2-and 3-Furancarboxylic Acids
Kyu Ok Jeon, Ji Sook Yu, and Chang Kiu Lee
Structure      13C NMR   碳谱模拟图
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16 .     N(2),N(6)-Bis(2-methyl-1-oxo-1-((E)-2-(thiophen-2-ylmethylene)hydrazinyl)propan-2-yl)pyridine-2,6-di-carboxamide
C25H27N7O4S2     相似度:58.3%
Molecules          2010          15          4711-4721
Synthesis of Some New Pyridine-2,6-carboxamide-derived Schiff Bases as Potential Antimicrobial Agents
Mohamed A. Al-Omar and Abd El-Galil E. Amr
Structure      13C NMR   碳谱模拟图
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17 .     1-Tosyl-1H-Indazole
    相似度:58.3%
Magnetic Resonance in Chemistry          2006          44          566-570
A 1H, 13C and 15N NMR study in solution and in the solid state of six N-substituted pyrazoles and indazoles (pages 566–570)
Rosa M. Claramunt, M. Dolores Santa María, Dionisia Sanz, Ibon Alkorta and José Elguero
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

18 .     4-(Thiophene-2-carboxamido)-3-chlorobenzenesulfonamide
C11H9N2S2O3Cl     相似度:58.3%
Bioorganic & Medicinal Chemistry          2000          8          2145-2155
Carbonic anhydrase inhibitors: sulfonamides incorporating furan-, thiophene- and pyrrole-carboxamido groups possess strong topical intraocular pressure lowering properties as aqueous suspensions
Monica Ilies, Claudiu T. Supuran, Andrea Scozzafava, Angela Casini, Francesco Mincione, Luca Menabuoni, Miron T. Caproiu, Maria Maganu, Mircea D. Banciu
Structure      13C NMR   碳谱模拟图
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19 .     2-(Pyridin-3-yl)-2,3,4,5,6,7-hexahydro-1,2-benzisothiazol-3-one 1,1-dioxide perchlorate
C12H13O7SN2Cl     相似度:58.3%
Zeitschrift für Naturforschung B          2009          64          669-675
Sultam and Sultim Structures, Part 5. Weak Hydrogen Bonds in Molecular Networks of 2-Hetaryl-3-oxosultams in Comparison with 2-Aryl-3-oxosultams
A. Eilfeld, J. Hunger, J. Sieler, and B. Schulze
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

20 .     6-(Phenylthiourenyl) saccharin
    相似度:58.3%
Bioorganic & Medicinal Chemistry          2012          20          2811-2821
New saccharin derivatives as tyrosinase inhibitors Original Research Article
Nahit Gençer, Dudu Demir, Fatih Sonmez, Mustafa Kucukislamoglu
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

21 .     5-amino-3-(2,4-dimethylphenyl)-1H-pyrazole hydrochloride
C11H14ClN3     相似度:58.3%
Russian Journal of Organic Chemistry          2004          40          1518-1520
New synthesis of 3-aryl-5-amino-1H-pyrazoles
V. G. Nenaidenko, I. V. Golubinskii, O. N. Lenkova, A. V. Shastin and E. S. Balenkova
Structure      13C NMR   碳谱模拟图
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22 .     4-(4-methoxyphenyl)-3,5-dimethyl-1,7-diphenyl-1H,7H-bispyrazolo[3,4-b:4',3'-e]pyridine
C28H23N5O     相似度:57.1%
Journal of Heterocyclic Chemistry          2005          42          61-66
Solvent-free microwave synthesis of bis-pyrazolo[3,4-b:4',3'-e]-pyridines and study of their antifungal properties
J. Quiroga,J. Portilla,B. Insuasty,R. Abonía,M. Nogueras,M. Sortino and S. Zacchino
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

23 .     compound 8i
C16H10F3NO3     相似度:57.1%
Pharmazie          2003          58          83-94
Antimycobacterial 3-aryl-2H-1,3-benzoxazine-2,4(3H)-diones
K. Waisser - O. Bures - P. Holy - J. Kunes - R. Oswald - L. Jirásková - M. Pour - V. Klimesová - K. Palát, Jr. - J. Kaustová - H.-M. Danse - U. Möllmann
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

24 .     4-(isoxazol-3-yl)-5-methyl-1-phenyl-3-phenylcarbamoyl-1H-pyrazole
C20H16N4O2     相似度:56.2%
Bioorganic & Medicinal Chemistry          2008          16          4569-4578
Synthesis of new N-phenylpyrazole derivatives with potent antimicrobial activity
Ahmad M. Farag, Abdelrahman S. Mayhoub, Saber E. Barakat, Ashraf H. Bayomi
Structure      13C NMR   碳谱模拟图
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25 .     trans-1,2-Bis[4-(5-amidino-2-benzimidazolyl)phenyl]ethane hydrochloride
C30H28N8Cl4     相似度:53.8%
Molecules          2004          9          158-163
The Synthesis of Dicationic Extended Bis-Benzimidazoles
Zhijan Kang, Christine C. Dykstra and David W. Boykin
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

26 .     N,N'-bis(4-Hydroxybenzylidene)-o-tolidine
C28H24N2O2     相似度:53.8%
Molecules          2012          17          645-656
Synthesis of New Liquid Crystalline Diglycidyl Ethers
Issam Ahmed Mohammed and Rashidah Mohamed Hamidi
Structure      13C NMR   碳谱模拟图
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27 .     4-(4-Methylphenyl)-1,7-naphthyridine-2(1H)-thione
C15H12N2S     相似度:53.8%
Helvetica Chimica Acta          2012          95          556-563
Synthesis of 4-Aryl-1,7-naphthyridine-2(1H)-thiones by the Electrocyclic Reaction of 4-(1-Arylalk-1-enyl)-3-isothiocyanatopyridines Generated in situ from the Corresponding Isocyanides
Kazuhiro Kobayashi,Taketoshi Kozuki,and Teruhiko Suzuki
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

28 .     5-hydroxy-3-(4-methylphenyl)-2H-1,3-benzoxazine-2,4(3H)-dione
C15H11NO4     相似度:53.8%
Journal of Heterocyclic Chemistry          2009          46          873-880
Synthesis and antifungal evaluation of hydroxy-3-phenyl-2H-1,3-benzoxazine-2,4(3H)-diones and their thioanalogs
Pavel Skála,Miloš Macháček,Marcela Vejsová,Lenka Kubicová,Jiří Kuneš and Karel Waisser
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

29 .     3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-5-carboxamide
C17H15N3O2     相似度:53.8%
Journal of Heterocyclic Chemistry          2001          38          691-694
Preparation of 1H-pyrazole-5-carboxamides from dilithiated C(), N-phenylhydrazones and lithiated ethyl oxanilates or lithiated ethyl oxamate
Jennifer R. Downs, Stefan J. Pastine, Deborah A. Schady, Heather A. Greer, Wayne Kelley Jr., Mildred C. Embree, Jessica D. Townsend and Charles F. Beam
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

30 .     compound 2i
C15H7ClF3NO3     相似度:53.8%
Pharmazie          2003          58          83-94
Antimycobacterial 3-aryl-2H-1,3-benzoxazine-2,4(3H)-diones
K. Waisser - O. Bures - P. Holy - J. Kunes - R. Oswald - L. Jirásková - M. Pour - V. Klimesová - K. Palát, Jr. - J. Kaustová - H.-M. Danse - U. Möllmann
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

31 .     compound 5i
C15H7BrF3NO3     相似度:53.8%
Pharmazie          2003          58          83-94
Antimycobacterial 3-aryl-2H-1,3-benzoxazine-2,4(3H)-diones
K. Waisser - O. Bures - P. Holy - J. Kunes - R. Oswald - L. Jirásková - M. Pour - V. Klimesová - K. Palát, Jr. - J. Kaustová - H.-M. Danse - U. Möllmann
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

32 .     compound 2
C52H34O8     相似度:53.8%
Tetrahedron Letters          2003          44          7129-7132
Synthesis of m-terphenyl derivatives for potential use as tectons in crystal engineering
Ryan S. Wright, Thottumkara K. Vinod
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

33 .     2-(Benzimidazo-2-yl)-3-phenyl-7-nitroquinoxaline
    相似度:53.8%
Tetrahedron Letters          2004          45          4003-4007
Application of quantum chemical calculations of 13C NMR chemical shifts to quinoxaline structure determination
Alsu Balandina, Vakhid Mamedov, Xavier Franck, Bruno Figadère, Shamil Latypov
Structure      13C NMR   碳谱模拟图
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34 .     4-[2-(3,5-Dimethoxyphenyl)ethenyl]-1,2-benzenediol
C16H16O4     相似度:53.8%
Bioscience, Biotechnology, and Biochemistry          2003          67          2463-2466
Synthesis and Antioxidant Activity of 4-[2-(3,5-Dimethoxyphenyl)ethenyl]-1,2-benzenediol, a Metabolite of Sphaerophysa salsula
Somepalli VENKATESWARLU, Boyina SATYANARAYANA, Chillara V. SURESHBABU and Gottumukkala V. SUBBARAJU
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

35 .     (4-Iodophenyl)(2-thienyl)iodonium tosylate
C17H14I2O3S2     相似度:53.8%
Tetrahedron          2012          68          4112-4116
Convenient preparation of (4-iodophenyl)aryliodonium salts Original Research Article
Jens Cardinale, Johannes Ermert, Heinz H. Coenen
Structure      13C NMR   碳谱模拟图
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