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1,1-DIFLUORO-1-(METJYLSULFONYL)-3-(1H-1,2,4-TRIAZOL-1-YL)-2-[4-(TRIFLUOROMETHYL)-PHENYL]-2-PROPANOL
SpectraBase Compound ID 37dvGR7dhhT
InChI InChI=1S/C13H12F5N3O3S/c1-25(23,24)13(17,18)11(22,6-21-8-19-7-20-21)9-2-4-10(5-3-9)12(14,15)16/h2-5,7-8,22H,6H2,1H3
InChIKey NYQMNVHUVOOVDI-UHFFFAOYSA-N
Mol Weight 385.31 g/mol
Molecular Formula C13H12F5N3O3S
Exact Mass 385.051953 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5iY077lVIGh
Name 1,1-DIFLUORO-1-(METJYLSULFONYL)-3-(1H-1,2,4-TRIAZOL-1-YL)-2-[4-(TRIFLUOROMETHYL)-PHENYL]-2-PROPANOL
Compound Number 2J
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H12F5N3O3S
InChI InChI=1S/C13H12F5N3O3S/c1-25(23,24)13(17,18)11(22,6-21-8-19-7-20-21)9-2-4-10(5-3-9)12(14,15)16/h2-5,7-8,22H,6H2,1H3
InChIKey NYQMNVHUVOOVDI-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 UWVN29044