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2,3-DIPHENYL-1,3,4-THIADIAZOLIUM-5-THIOACETATE
SpectraBase Compound ID Gk4Y9mnOdAU
InChI InChI=1S/C16H12N2O2S2/c19-14(20)11-21-16-17-18(13-9-5-2-6-10-13)15(22-16)12-7-3-1-4-8-12/h1-10H,11H2
InChIKey QYNPFRIJWYKEPQ-UHFFFAOYSA-N
Mol Weight 328.4 g/mol
Molecular Formula C16H12N2O2S2
Exact Mass 328.03402 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7VYDU2cwaol
Name 2,3-DIPHENYL-1,3,4-THIADIAZOLIUM-5-THIOACETATE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H12N2O2S2
InChI InChI=1S/C16H12N2O2S2/c19-14(20)11-21-16-17-18(13-9-5-2-6-10-13)15(22-16)12-7-3-1-4-8-12/h1-10H,11H2
InChIKey QYNPFRIJWYKEPQ-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 328.403 g/mol
Solvent CDCl3
Source File Reference UWLU78928