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5-HYDROXY-3-(4-METHYLPHENYL)-5-TRIFLUOROMETHYL-4,5-DIHYDRO-1H-1-(2-THENOYL)-PYRAZOLE
SpectraBase Compound ID FYzzFOk52eb
InChI InChI=1S/C16H13F3N2O2S/c1-10-4-6-11(7-5-10)12-9-15(23,16(17,18)19)21(20-12)14(22)13-3-2-8-24-13/h2-8,23H,9H2,1H3
InChIKey CXIUMHOQJWZWHU-UHFFFAOYSA-N
Mol Weight 354.35 g/mol
Molecular Formula C16H13F3N2O2S
Exact Mass 354.064983 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BaTebx9xm8s
Name 5-HYDROXY-3-(4-METHYLPHENYL)-5-TRIFLUOROMETHYL-4,5-DIHYDRO-1H-1-(2-THENOYL)-PYRAZOLE
Compound Number 2D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H13F3N2O2S
InChI InChI=1S/C16H13F3N2O2S/c1-10-4-6-11(7-5-10)12-9-15(23,16(17,18)19)21(20-12)14(22)13-3-2-8-24-13/h2-8,23H,9H2,1H3
InChIKey CXIUMHOQJWZWHU-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 354.347 g/mol
Sample ID 53102
Solvent DMSO-D6