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3-(4-BROMOPHENYL)-5-HYDROXY-5-TRIFLUOROMETHYL-4,5-DIHYDRO-1H-1-(2-THENOYL)-PYRAZOLE
SpectraBase Compound ID 4ZBidrDer7z
InChI InChI=1S/C15H10BrF3N2O2S/c16-10-5-3-9(4-6-10)11-8-14(23,15(17,18)19)21(20-11)13(22)12-2-1-7-24-12/h1-7,23H,8H2
InChIKey JNIWSUUEMUDHSY-UHFFFAOYSA-N
Mol Weight 419.22 g/mol
Molecular Formula C15H10BrF3N2O2S
Exact Mass 417.959846 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DFwwbW7tPfq
Name 3-(4-BROMOPHENYL)-5-HYDROXY-5-TRIFLUOROMETHYL-4,5-DIHYDRO-1H-1-(2-THENOYL)-PYRAZOLE
Compound Number 2H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H10BrF3N2O2S
InChI InChI=1S/C15H10BrF3N2O2S/c16-10-5-3-9(4-6-10)11-8-14(23,15(17,18)19)21(20-11)13(22)12-2-1-7-24-12/h1-7,23H,8H2
InChIKey JNIWSUUEMUDHSY-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 419.216 g/mol
Sample ID 53106
Solvent DMSO-D6