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1-(4-AMINOPHENYL)-3-(4-METHYLPHENYL)-5-TRIFLUOROMETHYLPYRAZOLE

View entire compound with spectra: 2 NMR

1-(4-AMINOPHENYL)-3-(4-METHYLPHENYL)-5-TRIFLUOROMETHYLPYRAZOLE
SpectraBase Compound ID INiYghwsTGR
InChI InChI=1S/C17H14F3N3/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)23(22-15)14-8-6-13(21)7-9-14/h2-10H,21H2,1H3
InChIKey WMRMVCQKHRIPJG-UHFFFAOYSA-N
Mol Weight 317.32 g/mol
Molecular Formula C17H14F3N3
Exact Mass 317.113982 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EDN21CisGcc
Name 1-(4-AMINOPHENYL)-3-(4-METHYLPHENYL)-5-TRIFLUOROMETHYLPYRAZOLE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H14F3N3
InChI InChI=1S/C17H14F3N3/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)23(22-15)14-8-6-13(21)7-9-14/h2-10H,21H2,1H3
InChIKey WMRMVCQKHRIPJG-UHFFFAOYSA-N
Literature Reference Author A.G.HABEEB,P.N.P.RAO,E.E.KNAUS
Literature Reference Citation J.MED.CHEM.,44,3039(2001)
Literature Reference DOI 10.1021/jm010153c
Molecular Weight 317.313 g/mol
Sample ID 45078
Solvent CDCl3