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3-Benzyl-5-(tert-butylamino)-4-(dimethylamino)-2-(methylthio)thiazolium Chloride
SpectraBase Compound ID EYZTccweacM
InChI InChI=1S/C17H26N3S2.ClH/c1-17(2,3)18-14-15(19(4)5)20(16(21-6)22-14)12-13-10-8-7-9-11-13;/h7-11,18H,12H2,1-6H3;1H/q+1;/p-1
InChIKey WPHNRUBIMGOGKU-UHFFFAOYSA-M
Mol Weight 371.99 g/mol
Molecular Formula C17H26ClN3S2
Exact Mass 371.125668 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BctULZEqQzm
Name 3-BENZYL-5-(TERT.-BUTYLAMINO)-4-(DIMETHYLAMINO)-2-(METHYLTHIO)-THIAZOLIUM-CHLORIDE
Compound Number 6C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H26ClN3S2
InChI InChI=1S/C17H26N3S2.ClH/c1-17(2,3)18-14-15(19(4)5)20(16(21-6)22-14)12-13-10-8-7-9-11-13;/h7-11,18H,12H2,1-6H3;1H/q+1;/p-1
InChIKey WPHNRUBIMGOGKU-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 371.987 g/mol
Solvent CDCl3
Source File Reference UWSP10188