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2-(4-CHLOROPHENYL)-3-N-METHYL-4-(METHOXYPHENYL)-1,3-THIAZOLIUM-5-METHYLTHIO-IODIDE
SpectraBase Compound ID 2k7esekSkJQ
InChI InChI=1S/C18H17ClNOS2.HI/c1-20-16(12-6-10-15(21-2)11-7-12)18(22-3)23-17(20)13-4-8-14(19)9-5-13;/h4-11H,1-3H3;1H/q+1;/p-1
InChIKey QILZNLFOCJGQQC-UHFFFAOYSA-M
Mol Weight 489.82 g/mol
Molecular Formula C18H17ClINOS2
Exact Mass 488.948479 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D2xeJ1tdSdj
Name 2-(4-CHLOROPHENYL)-3-N-METHYL-4-(METHOXYPHENYL)-1,3-THIAZOLIUM-5-METHYLTHIO-IODIDE
Compound Number 5C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H17ClINOS2
InChI InChI=1S/C18H17ClNOS2.HI/c1-20-16(12-6-10-15(21-2)11-7-12)18(22-3)23-17(20)13-4-8-14(19)9-5-13;/h4-11H,1-3H3;1H/q+1;/p-1
InChIKey QILZNLFOCJGQQC-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 489.817 g/mol
Solvent CDCl3
Source File Reference UWLU78924