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4-(tert-Butylamino)-3-(2,6-dimethylphenyl)-1-methyl-2-(methylthio)-5-phenylimidazolium Chloride
SpectraBase Compound ID 9fvCtAgF2zA
InChI InChI=1S/C23H30N3S.ClH/c1-16-12-11-13-17(2)19(16)26-21(24-23(3,4)5)20(25(6)22(26)27-7)18-14-9-8-10-15-18;/h8-15,24H,1-7H3;1H/q+1;/p-1
InChIKey YSNCZZTUFVZXHF-UHFFFAOYSA-M
Mol Weight 416.03 g/mol
Molecular Formula C23H30ClN3S
Exact Mass 415.184897 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1OyOUaGveQ7
Name 4-(TERT.-BUTYLAMINO)-3-(2,6-DIMETHYLPHENYL)-1-METHYL-2-(METHYLTHIO)-5-PHENYL-IMIDAZOLIUM-CHLORIDE
CAS Registry Number 138877-65-3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H30ClN3S
InChI InChI=1S/C23H30N3S.ClH/c1-16-12-11-13-17(2)19(16)26-21(24-23(3,4)5)20(25(6)22(26)27-7)18-14-9-8-10-15-18;/h8-15,24H,1-7H3;1H/q+1;/p-1
InChIKey YSNCZZTUFVZXHF-UHFFFAOYSA-M
Literature Reference Author Y.MALVAUT,E.MARCHAND,G.MOREL
Literature Reference Citation J.ORG.CHEM.,57,2121(1992)
Literature Reference DOI 10.1021/jo00033a038
Molecular Weight 416.024 g/mol
Solvent CDCl3
Source File Reference UWCS2693