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4-[(2,6-Dimethylphenyl)amino]-1-methyl-2-(methylthio)-5-phenyl-3-isopropylimidazolium Chloride
SpectraBase Compound ID J3hecHL0lfY
InChI InChI=1S/C22H28N3S.ClH/c1-15(2)25-21(23-19-16(3)11-10-12-17(19)4)20(24(5)22(25)26-6)18-13-8-7-9-14-18;/h7-15,23H,1-6H3;1H/q+1;/p-1
InChIKey MBCDRQSBYBKLDP-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 2tRHC3W30rw
Name 4-[(2,6-DIMETHYLPHENYL)-AMINO]-1-METHYL-2-(METHYLTHIO)-5-PHENYL-3-ISOPROPYL-IMIDAZOLIUM-CHLORIDE
CAS Registry Number 138877-67-5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H28ClN3S
InChI InChI=1S/C22H28N3S.ClH/c1-15(2)25-21(23-19-16(3)11-10-12-17(19)4)20(24(5)22(25)26-6)18-13-8-7-9-14-18;/h7-15,23H,1-6H3;1H/q+1;/p-1
InChIKey MBCDRQSBYBKLDP-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 UWCS2695