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3-Benzyl-4-(tert-butylamino)-1-methyl-2-(methylthio)-5-phenylimidazolium Chloride
SpectraBase Compound ID BKEBB11C6NJ
InChI InChI=1S/C22H28N3S.ClH/c1-22(2,3)23-20-19(18-14-10-7-11-15-18)24(4)21(26-5)25(20)16-17-12-8-6-9-13-17;/h6-15,23H,16H2,1-5H3;1H/q+1;/p-1
InChIKey DVGCQHVBGTXUPD-UHFFFAOYSA-M
Mol Weight 402.0 g/mol
Molecular Formula C22H28ClN3S
Exact Mass 401.169247 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JAudDULOKnf
Name 3-BENZYL-4-(TERT.-BUTYLAMINO)-1-METHYL-2-(METHYLTHIO)-5-PHENYL-IMIDAZOLIUM-CHLORIDE
CAS Registry Number 138877-66-4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H28ClN3S
InChI InChI=1S/C22H28N3S.ClH/c1-22(2,3)23-20-19(18-14-10-7-11-15-18)24(4)21(26-5)25(20)16-17-12-8-6-9-13-17;/h6-15,23H,16H2,1-5H3;1H/q+1;/p-1
InChIKey DVGCQHVBGTXUPD-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 401.997 g/mol
Solvent CDCl3
Source File Reference UWCS2694