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

View entire compound with spectra: 2 NMR

5-(4-METHYLPHENYL)-1-(4-NITROPHENYL)-3-TRIFLUOROMETHYLPYRAZOLE
SpectraBase Compound ID FZDE0LBvZAm
InChI InChI=1S/C17H12F3N3O2/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)21-22(15)13-6-8-14(9-7-13)23(24)25/h2-10H,1H3
InChIKey PFDHKRDNWYVBJD-UHFFFAOYSA-N
Mol Weight 347.3 g/mol
Molecular Formula C17H12F3N3O2
Exact Mass 347.088161 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EKCDPthvrEh
Name 5-(4-METHYLPHENYL)-1-(4-NITROPHENYL)-3-TRIFLUOROMETHYLPYRAZOLE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H12F3N3O2
InChI InChI=1S/C17H12F3N3O2/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)21-22(15)13-6-8-14(9-7-13)23(24)25/h2-10H,1H3
InChIKey PFDHKRDNWYVBJD-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
Solvent CDCl3
Source File Reference UWSI45080