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

*Links on SpectraBase are not permalinks.
(2-isopropyl-5-methyl-cyclohexyl) 2-[2-(4-methoxyphenyl)-3-methyl-benzimidazol-3-ium-1-yl]acetate
SpectraBase Compound ID FdfnsZOrWSw
InChI InChI=1S/C27H35N2O3/c1-18(2)22-15-10-19(3)16-25(22)32-26(30)17-29-24-9-7-6-8-23(24)28(4)27(29)20-11-13-21(31-5)14-12-20/h6-9,11-14,18-19,22,25H,10,15-17H2,1-5H3/q+1
InChIKey RQHITANMALXEGI-UHFFFAOYSA-N
Mol Weight 435.6 g/mol
Molecular Formula C27H35N2O3
Exact Mass 435.264768 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID HFGIHW0F514
Name 3-(2-ISOPROPYL-5-METHYLCYCLOHEXYLOXYCARBONYLMETHYL)-2-METHOXYPHENYL-1-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C27H35N2O3
InChI InChI=1S/C27H35N2O3/c1-18(2)22-15-10-19(3)16-25(22)32-26(30)17-29-24-9-7-6-8-23(24)28(4)27(29)20-11-13-21(31-5)14-12-20/h6-9,11-14,18-19,22,25H,10,15-17H2,1-5H3/q+1
InChIKey RQHITANMALXEGI-UHFFFAOYSA-N
Molecular Weight 435.2639
SMILES c1cc2[n](C)c(-c3ccc(OC)cc3)[n+](CC(OC3CC(C)CCC3C(C)C)=O)c2cc1
SPLASH splash10-0006-9000000000-dac3cf6bea3a264f2e02
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany