For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-Benzyl-5-(tert-butylamino)-4-(dimethylamino)-2-(phenylthio)thiazolium Chloride
SpectraBase Compound ID 7ANE12FkNGp
InChI InChI=1S/C22H28N3S2.ClH/c1-22(2,3)23-19-20(24(4)5)25(16-17-12-8-6-9-13-17)21(27-19)26-18-14-10-7-11-15-18;/h6-15,23H,16H2,1-5H3;1H/q+1;/p-1
InChIKey OFQFGRREMIOHKJ-UHFFFAOYSA-M
Mol Weight 434.06 g/mol
Molecular Formula C22H28ClN3S2
Exact Mass 433.141318 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8rcgtjmkmjh
Name 3-BENZYL-5-(TERT.-BUTYLAMINO)-4-(DIMETHYLAMINO)-2-(PHENYLTHIO)-THIAZOLIUM-CHLORIDE
Compound Number 6D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H28ClN3S2
InChI InChI=1S/C22H28N3S2.ClH/c1-22(2,3)23-19-20(24(4)5)25(16-17-12-8-6-9-13-17)21(27-19)26-18-14-10-7-11-15-18;/h6-15,23H,16H2,1-5H3;1H/q+1;/p-1
InChIKey OFQFGRREMIOHKJ-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 434.057 g/mol
Solvent CDCl3
Source File Reference UWSP10189