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1,1-DIFLUORO-2-(4-FLUOROPHENYL)-1-(METHYLSULFONYL)-3-(1H-1,2,4-TRIAZOL-1-YL)-2-PROPANOL
SpectraBase Compound ID 5WVvXqPTg96
InChI InChI=1S/C12H12F3N3O3S/c1-22(20,21)12(14,15)11(19,6-18-8-16-7-17-18)9-2-4-10(13)5-3-9/h2-5,7-8,19H,6H2,1H3
InChIKey BHVWEWHXFLUUKT-UHFFFAOYSA-N
Mol Weight 335.3 g/mol
Molecular Formula C12H12F3N3O3S
Exact Mass 335.055147 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6aRRaVArajT
Name 1,1-DIFLUORO-2-(4-FLUOROPHENYL)-1-(METHYLSULFONYL)-3-(1H-1,2,4-TRIAZOL-1-YL)-2-PROPANOL
Compound Number 2I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12F3N3O3S
InChI InChI=1S/C12H12F3N3O3S/c1-22(20,21)12(14,15)11(19,6-18-8-16-7-17-18)9-2-4-10(13)5-3-9/h2-5,7-8,19H,6H2,1H3
InChIKey BHVWEWHXFLUUKT-UHFFFAOYSA-N
Literature Reference Author H.ETO,Y.KANEKO,S.TAKEDA,M.TOKIZAWA,S.SATO,K.YOSHIDA,S.NAMIKI ,M.OGAWA,K.MAEBASHI,
Literature Reference Citation CHEM.PHARM.BULL.,49,173(2001)
Literature Reference DOI 10.1248/cpb.49.173
Solvent CDCl3
Source File Reference UWVN29046