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5-HYDROXY-3-METHYL-5-TRIFLUOROMETHYL-4,5-DIHYDRO-1H-1-(ISONICOTINOYL)-PYRAZOLE
SpectraBase Compound ID KeUAG1WHDq4
InChI InChI=1S/C11H10F3N3O2/c1-7-6-10(19,11(12,13)14)17(16-7)9(18)8-2-4-15-5-3-8/h2-5,19H,6H2,1H3
InChIKey LUNOATFAWFYRQG-UHFFFAOYSA-N
Mol Weight 273.22 g/mol
Molecular Formula C11H10F3N3O2
Exact Mass 273.072511 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9NJ56Af4nMv
Name 5-HYDROXY-3-METHYL-5-TRIFLUOROMETHYL-4,5-DIHYDRO-1H-1-(ISONICOTINOYL)-PYRAZOLE
Compound Number 6B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H10F3N3O2
InChI InChI=1S/C11H10F3N3O2/c1-7-6-10(19,11(12,13)14)17(16-7)9(18)8-2-4-15-5-3-8/h2-5,19H,6H2,1H3
InChIKey LUNOATFAWFYRQG-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 273.215 g/mol
Sample ID 53118
Solvent DMSO-D6