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1-METHYL-2-(METHYLTHIO)-5-PHENYL-3-ISOPROPYL-4-(ISOPROPYLAMINO)-IMIDAZOLIUM-CHLORIDE
SpectraBase Compound ID G3yPKVB4UjK
InChI InChI=1S/C17H26N3S.2ClH/c1-12(2)18-16-15(14-10-8-7-9-11-14)19(5)17(21-6)20(16)13(3)4;;/h7-13,18H,1-6H3;2*1H/q+1;;/p-1
InChIKey NFEXJOAHOPOSRR-UHFFFAOYSA-M
Mol Weight 376.39 g/mol
Molecular Formula C17H27Cl2N3S
Exact Mass 375.130274 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HfvV4SMEQMe
Name 1-METHYL-2-(METHYLTHIO)-5-PHENYL-3-ISOPROPYL-4-(ISOPROPYLAMINO)-IMIDAZOLIUM-CHLORIDE
CAS Registry Number 138877-68-6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H27Cl2N3S
InChI InChI=1S/C17H26N3S.2ClH/c1-12(2)18-16-15(14-10-8-7-9-11-14)19(5)17(21-6)20(16)13(3)4;;/h7-13,18H,1-6H3;2*1H/q+1;;/p-1
InChIKey NFEXJOAHOPOSRR-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 376.387 g/mol
Solvent CDCl3
Source File Reference UWCS2696