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2-(4-CHLOROPHENYL)-3-N-METHYL-4-(ISOPROPYLPHENYL)-1,3-THIAZOLIUM-5-METHYLTHIO-IODIDE
SpectraBase Compound ID BQSUE0sBcDf
InChI InChI=1S/C20H21ClNS2.HI/c1-13(2)14-5-7-15(8-6-14)18-20(23-4)24-19(22(18)3)16-9-11-17(21)12-10-16;/h5-13H,1-4H3;1H/q+1;/p-1
InChIKey WQFHKNCVDCFRNY-UHFFFAOYSA-M
Mol Weight 501.87 g/mol
Molecular Formula C20H21ClINS2
Exact Mass 500.984865 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kr8c2sFmJbF
Name 2-(4-CHLOROPHENYL)-3-N-METHYL-4-(ISOPROPYLPHENYL)-1,3-THIAZOLIUM-5-METHYLTHIO-IODIDE
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H21ClINS2
InChI InChI=1S/C20H21ClNS2.HI/c1-13(2)14-5-7-15(8-6-14)18-20(23-4)24-19(22(18)3)16-9-11-17(21)12-10-16;/h5-13H,1-4H3;1H/q+1;/p-1
InChIKey WQFHKNCVDCFRNY-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 501.871 g/mol
Solvent CDCl3
Source File Reference UWLU78923