For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4-[[(Ethoxycarbonyl)methyl]amino]-1-methyl-2-(methylthio)-5-phenyl-3-isopropylimidazolium Chloride
SpectraBase Compound ID Ewimoezpj5n
InChI InChI=1S/C18H26N3O2S.ClH/c1-6-23-15(22)12-19-17-16(14-10-8-7-9-11-14)20(4)18(24-5)21(17)13(2)3;/h7-11,13,19H,6,12H2,1-5H3;1H/q+1;/p-1
InChIKey PXQKAKKFYVRHRK-UHFFFAOYSA-M
Mol Weight 383.94 g/mol
Molecular Formula C18H26ClN3O2S
Exact Mass 383.143426 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7dUY6ZHHVHy
Name 4-([(ETHOXYCARBONYL)-METHYL]-AMINO)-1-METHYL-2-(METHYLTHIO)-5-PHENYL-3-ISOPROPYL-IMIDAZOLIUM-CHLORIDE
CAS Registry Number 138877-69-7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H26ClN3O2S
InChI InChI=1S/C18H26N3O2S.ClH/c1-6-23-15(22)12-19-17-16(14-10-8-7-9-11-14)20(4)18(24-5)21(17)13(2)3;/h7-11,13,19H,6,12H2,1-5H3;1H/q+1;/p-1
InChIKey PXQKAKKFYVRHRK-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 383.936 g/mol
Solvent CDCl3
Source File Reference UWCS2697