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5-HYDROXY-5-TRIFLUOROMETHYL-4,5-DIHYDRO-1H-1-(ISONICOTINOYL)-PYRAZOLE
SpectraBase Compound ID LijG1V8AA1y
InChI InChI=1S/C10H8F3N3O2/c11-10(12,13)9(18)3-6-15-16(9)8(17)7-1-4-14-5-2-7/h1-2,4-6,18H,3H2
InChIKey BCUWAFAEPXMONW-UHFFFAOYSA-N
Mol Weight 259.19 g/mol
Molecular Formula C10H8F3N3O2
Exact Mass 259.056861 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 56Os7ZMbSuy
Name 5-HYDROXY-5-TRIFLUOROMETHYL-4,5-DIHYDRO-1H-1-(ISONICOTINOYL)-PYRAZOLE
Compound Number 6A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H8F3N3O2
InChI InChI=1S/C10H8F3N3O2/c11-10(12,13)9(18)3-6-15-16(9)8(17)7-1-4-14-5-2-7/h1-2,4-6,18H,3H2
InChIKey BCUWAFAEPXMONW-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 259.188 g/mol
Sample ID 53117
Solvent DMSO-D6