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5-HYDROXY-3-(4-METHYLPHENYL)-5-TRIFLUOROMETHYL-4,5-DIHYDRO-1H-1-(ISONICOTINOYL)-PYRAZOLE
SpectraBase Compound ID 9jdmWwYrNqH
InChI InChI=1S/C17H14F3N3O2/c1-11-2-4-12(5-3-11)14-10-16(25,17(18,19)20)23(22-14)15(24)13-6-8-21-9-7-13/h2-9,25H,10H2,1H3
InChIKey QKVIHQDACBEQQU-UHFFFAOYSA-N
Mol Weight 349.31 g/mol
Molecular Formula C17H14F3N3O2
Exact Mass 349.103811 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7aD5CKcvp5O
Name 5-HYDROXY-3-(4-METHYLPHENYL)-5-TRIFLUOROMETHYL-4,5-DIHYDRO-1H-1-(ISONICOTINOYL)-PYRAZOLE
Compound Number 6D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H14F3N3O2
InChI InChI=1S/C17H14F3N3O2/c1-11-2-4-12(5-3-11)14-10-16(25,17(18,19)20)23(22-14)15(24)13-6-8-21-9-7-13/h2-9,25H,10H2,1H3
InChIKey QKVIHQDACBEQQU-UHFFFAOYSA-N
Literature Reference Author H.G.BONACORSO,M.R.OLIVEIRA,M.B.COSTA,L.B.D.SILVA,A.D.WASTOWS KI,N.ZANATTA,M.A.P.M
Literature Reference Citation J.HETCYCL.CHEM.,42,631(2005)
Literature Reference DOI 10.1002/jhet.5570420424
Molecular Weight 349.312 g/mol
Sample ID 53120
Solvent DMSO-D6