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MESOIONIC-2-(PARA-TRIFLUOROPHENYL)-3-METHYL-4-(PARA-ISOPROPYLPHENYL)-1,3-THIAZOLIUM-5-THIOLATE
SpectraBase Compound ID EyDh03Vo1im
InChI InChI=1S/C20H18F3NS2/c1-12(2)13-4-6-14(7-5-13)17-19(25)26-18(24(17)3)15-8-10-16(11-9-15)20(21,22)23/h4-12H,1-3H3
InChIKey NVCQORYJTXZNIO-UHFFFAOYSA-N
Mol Weight 393.49 g/mol
Molecular Formula C20H18F3NS2
Exact Mass 393.083276 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6RdkrRzhVko
Name MESOIONIC-2-(PARA-TRIFLUOROPHENYL)-3-METHYL-4-(PARA-ISOPROPYLPHENYL)-1,3-THIAZOLIUM-5-THIOLATE
Compound Number 7 C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H18F3NS2
InChI InChI=1S/C20H18F3NS2/c1-12(2)13-4-6-14(7-5-13)17-19(25)26-18(24(17)3)15-8-10-16(11-9-15)20(21,22)23/h4-12H,1-3H3
InChIKey NVCQORYJTXZNIO-UHFFFAOYSA-N
Literature Reference Author B.F.LIRA,P.F.D.A.FILHO,J.MILLER,A.M.SIMAS,A.D.F.DIAS,M.J.VIE IRA
Literature Reference Citation MOLECULES,7,791(2002)
Literature Reference DOI 10.3390/71100791
Molecular Weight 393.485 g/mol
Solvent CDCl3
Source File Reference UWLU7775