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1,1-DIFLUORO-1-(METHYLTHIO)-3-(1H-1,2,4-TRIAZOL-1-YL)-2-[4-(TRIFLUOROMETHYL)-PHENYL]-2-PROPANOL
SpectraBase Compound ID KMbIqKsW9Ma
InChI InChI=1S/C13H12F5N3OS/c1-23-13(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 MJDRMMFCBFPFEN-UHFFFAOYSA-N
Mol Weight 353.31 g/mol
Molecular Formula C13H12F5N3OS
Exact Mass 353.062124 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3QrdlWrTY4b
Name 1,1-DIFLUORO-1-(METHYLTHIO)-3-(1H-1,2,4-TRIAZOL-1-YL)-2-[4-(TRIFLUOROMETHYL)-PHENYL]-2-PROPANOL
Compound Number 9J
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H12F5N3OS
InChI InChI=1S/C13H12F5N3OS/c1-23-13(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 MJDRMMFCBFPFEN-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 UWVN29043