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2-(4-CHLOROPHENYL)-3-PHENYL-1,3,4-THIADIAZOLIUM-5-METHYLTHIO-IODIDE
SpectraBase Compound ID ddO9EAhiLl
InChI InChI=1S/C15H12ClN2S2.HI/c1-19-15-17-18(13-5-3-2-4-6-13)14(20-15)11-7-9-12(16)10-8-11;/h2-10H,1H3;1H/q+1;/p-1
InChIKey MVQKJXIUZXIQBP-UHFFFAOYSA-M
Mol Weight 446.75247 g/mol
Molecular Formula C15H12ClIN2S2
Exact Mass 445.917513 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lp0xwIYhpPV
Name 2-(4-CHLOROPHENYL)-3-PHENYL-1,3,4-THIADIAZOLIUM-5-METHYLTHIO-IODIDE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H12ClIN2S2
InChI InChI=1S/C15H12ClN2S2.HI/c1-19-15-17-18(13-5-3-2-4-6-13)14(20-15)11-7-9-12(16)10-8-11;/h2-10H,1H3;1H/q+1;/p-1
InChIKey MVQKJXIUZXIQBP-UHFFFAOYSA-M
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 446.751 g/mol
Solvent CD3OD
Source File Reference UWLU78927