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5-(tert-Butylamino)-4-(dimethylamino)-3-(2,6-dimethylphenyl)-2-(methylthio)thiazolium chloride
SpectraBase Compound ID KBEcoPyVFMD
InChI InChI=1S/C18H28N3S2.ClH/c1-12-10-9-11-13(2)14(12)21-16(20(6)7)15(19-18(3,4)5)23-17(21)22-8;/h9-11,19H,1-8H3;1H/q+1;/p-1
InChIKey BWMFWCIFYSLLQL-UHFFFAOYSA-M
Mol Weight 386.02 g/mol
Molecular Formula C18H28ClN3S2
Exact Mass 385.141318 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HN8dMoJ68kd
Name 5-(TERT.-BUTYLAMINO)-4-(DIMETHYLAMINO)-3-(2,6-DIMETHYLPHENYL)-2-(METHYLTHIO)-THIAZOLIUM-CHLORIDE
Compound Number 6N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H28ClN3S2
InChI InChI=1S/C18H28N3S2.ClH/c1-12-10-9-11-13(2)14(12)21-16(20(6)7)15(19-18(3,4)5)23-17(21)22-8;/h9-11,19H,1-8H3;1H/q+1;/p-1
InChIKey BWMFWCIFYSLLQL-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 386.013 g/mol
Solvent CDCl3
Source File Reference UWSP10196