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4-(tert-Butylamino)-1-methyl-2-(methylthio)-5-phenyl-3-isopropylimidazolium Chloride
SpectraBase Compound ID BQ80PDx6I0I
InChI InChI=1S/C18H28N3S.ClH/c1-13(2)21-16(19-18(3,4)5)15(20(6)17(21)22-7)14-11-9-8-10-12-14;/h8-13,19H,1-7H3;1H/q+1;/p-1
InChIKey IXLIURYSLYFXFW-UHFFFAOYSA-M
Mol Weight 353.96 g/mol
Molecular Formula C18H28ClN3S
Exact Mass 353.169247 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cp7FvkwyHi6
Name 4-(TERT.-BUTYLAMINO)-1-METHYL-2-(METHYLTHIO)-5-PHENYL-3-ISOPROPYL-IMIDAZOLIUM-CHLORIDE
CAS Registry Number 138877-70-0
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H28ClN3S
InChI InChI=1S/C18H28N3S.ClH/c1-13(2)21-16(19-18(3,4)5)15(20(6)17(21)22-7)14-11-9-8-10-12-14;/h8-13,19H,1-7H3;1H/q+1;/p-1
InChIKey IXLIURYSLYFXFW-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 353.953 g/mol
Solvent CDCl3
Source File Reference UWCS2698