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2-(4-TRIFLUOROMETHYL-PHENYL)-3-N-METHYL-4-(ISOPROPYLPHENYL)-1,3-THIAZOLIUM-5-THIOACETATE
SpectraBase Compound ID 2Ec1hoeZbIh
InChI InChI=1S/C22H20F3NO2S2/c1-13(2)14-4-6-15(7-5-14)19-21(29-12-18(27)28)30-20(26(19)3)16-8-10-17(11-9-16)22(23,24)25/h4-11,13H,12H2,1-3H3
InChIKey KBBKECRXSSTVOC-UHFFFAOYSA-N
Mol Weight 451.52 g/mol
Molecular Formula C22H20F3NO2S2
Exact Mass 451.088756 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JZF7dvyDoeM
Name 2-(4-TRIFLUOROMETHYL-PHENYL)-3-N-METHYL-4-(ISOPROPYLPHENYL)-1,3-THIAZOLIUM-5-THIOACETATE
Compound Number 6B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H20F3NO2S2
InChI InChI=1S/C22H20F3NO2S2/c1-13(2)14-4-6-15(7-5-14)19-21(29-12-18(27)28)30-20(26(19)3)16-8-10-17(11-9-16)22(23,24)25/h4-11,13H,12H2,1-3H3
InChIKey KBBKECRXSSTVOC-UHFFFAOYSA-N
Literature Reference Author J.A.S.LUIS,T.M.DEAQUINO,B.F.LIRA,P.F.A.FILHO,M.T.SCOTTI,L.SC OTTI,R.O.DEMOURA,F.J
Literature Reference Citation ACTA.PHARM.,64,233(2014)
Molecular Weight 451.522 g/mol
Solvent CD3OD
Source File Reference UWLU78926