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5-HYDROXY-3-PHENYL-5-TRIFLUOROMETHYL-4,5-DIHYDRO-1H-1-(2-THENOYL)-PYRAZOLE
SpectraBase Compound ID IAP8ZZbVSHS
InChI InChI=1S/C15H11F3N2O2S/c16-15(17,18)14(22)9-11(10-5-2-1-3-6-10)19-20(14)13(21)12-7-4-8-23-12/h1-8,22H,9H2
InChIKey PSKLYINGMVJWAS-UHFFFAOYSA-N
Mol Weight 340.32 g/mol
Molecular Formula C15H11F3N2O2S
Exact Mass 340.049333 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6Ihn0H2zfIQ
Name 5-HYDROXY-3-PHENYL-5-TRIFLUOROMETHYL-4,5-DIHYDRO-1H-1-(2-THENOYL)-PYRAZOLE
Compound Number 2C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H11F3N2O2S
InChI InChI=1S/C15H11F3N2O2S/c16-15(17,18)14(22)9-11(10-5-2-1-3-6-10)19-20(14)13(21)12-7-4-8-23-12/h1-8,22H,9H2
InChIKey PSKLYINGMVJWAS-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 340.320 g/mol
Sample ID 53101
Solvent DMSO-D6