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5-HYDROXY-3-METHYL-5-TRIFLUOROMETHYL-4,5-DIHYDRO-1H-1-(2-THENOYL)-PYRAZOLE
SpectraBase Compound ID 1HuCPwYXzlE
InChI InChI=1S/C10H9F3N2O2S/c1-6-5-9(17,10(11,12)13)15(14-6)8(16)7-3-2-4-18-7/h2-4,17H,5H2,1H3
InChIKey RIYLJXSHSHAIAI-UHFFFAOYSA-N
Mol Weight 278.25 g/mol
Molecular Formula C10H9F3N2O2S
Exact Mass 278.033683 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Z61NHL2q75
Name 5-HYDROXY-3-METHYL-5-TRIFLUOROMETHYL-4,5-DIHYDRO-1H-1-(2-THENOYL)-PYRAZOLE
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H9F3N2O2S
InChI InChI=1S/C10H9F3N2O2S/c1-6-5-9(17,10(11,12)13)15(14-6)8(16)7-3-2-4-18-7/h2-4,17H,5H2,1H3
InChIKey RIYLJXSHSHAIAI-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 278.249 g/mol
Sample ID 53100
Solvent DMSO-D6