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

*Links on SpectraBase are not permalinks.
1,3-DIISOPROPYL-2-(METHYLTHIO)-5-(4-NITROPHENYL)-4-(ISOPROPYLAMINO)-IMIDAZOLIUM-CHLORIDE
SpectraBase Compound ID 1PNNZfPBakw
InChI InChI=1S/C19H29N4O2S.ClH/c1-12(2)20-18-17(15-8-10-16(11-9-15)23(24)25)21(13(3)4)19(26-7)22(18)14(5)6;/h8-14,20H,1-7H3;1H/q+1;/p-1
InChIKey FUJAOTBIEDUPTM-UHFFFAOYSA-M
Mol Weight 412.98 g/mol
Molecular Formula C19H29ClN4O2S
Exact Mass 412.169975 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 DsvQEL4A3RR
Name 1,3-DIISOPROPYL-2-(METHYLTHIO)-5-(4-NITROPHENYL)-4-(ISOPROPYLAMINO)-IMIDAZOLIUM-CHLORIDE
CAS Registry Number 138877-91-5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H29ClN4O2S
InChI InChI=1S/C19H29N4O2S.ClH/c1-12(2)20-18-17(15-8-10-16(11-9-15)23(24)25)21(13(3)4)19(26-7)22(18)14(5)6;/h8-14,20H,1-7H3;1H/q+1;/p-1
InChIKey FUJAOTBIEDUPTM-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 412.978 g/mol
Solvent CDCl3
Source File Reference UWCS2703