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3-BENZYL-4-(DIMETHYLAMINO)-5-[[ETHOXYCARBONYL)-METHYL]-AMINO]-2-(METHYLTHIO)-THIAZOLIUM-CHLORIDE
SpectraBase Compound ID IiuZO93dirv
InChI InChI=1S/C17H24N3O2S2.ClH/c1-5-22-14(21)11-18-15-16(19(2)3)20(17(23-4)24-15)12-13-9-7-6-8-10-13;/h6-10,18H,5,11-12H2,1-4H3;1H/q+1;/p-1
InChIKey YKGMAYBDLZBSCL-UHFFFAOYSA-M
Mol Weight 401.97 g/mol
Molecular Formula C17H24ClN3O2S2
Exact Mass 401.099847 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JJAyEKLr3pA
Name 3-BENZYL-4-(DIMETHYLAMINO)-5-[[ETHOXYCARBONYL)-METHYL]-AMINO]-2-(METHYLTHIO)-THIAZOLIUM-CHLORIDE
Compound Number 6B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H24ClN3O2S2
InChI InChI=1S/C17H24N3O2S2.ClH/c1-5-22-14(21)11-18-15-16(19(2)3)20(17(23-4)24-15)12-13-9-7-6-8-10-13;/h6-10,18H,5,11-12H2,1-4H3;1H/q+1;/p-1
InChIKey YKGMAYBDLZBSCL-UHFFFAOYSA-M
Literature Reference Author F.BERREE,Y.MALVAUT,E.MARCHAND,G.MOREL
Literature Reference Citation J.ORG.CHEM.,58,6022(1993)
Literature Reference DOI 10.1021/jo00074a032
Molecular Weight 401.969 g/mol
Solvent CDCl3
Source File Reference UWSP10187