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

*Links on SpectraBase are not permalinks.

MCHB-1

View entire compound with spectra: 1 FTIR, 1 Raman, and 4 MS (GC)

MCHB-1
SpectraBase Compound ID 97yUPO3zbN7
InChI InChI=1S/C28H37N3O2/c1-4-30(5-2)28(32)23-14-17-26-25(19-23)29-27(31(26)20-22-10-8-7-9-11-22)18-21-12-15-24(16-13-21)33-6-3/h12-17,19,22H,4-11,18,20H2,1-3H3
InChIKey WRVZBXHTUOPQJS-UHFFFAOYSA-N
Mol Weight 447.6 g/mol
Molecular Formula C28H37N3O2
Exact Mass 447.288577 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 6owAOgPkFMN
Name MCHB-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H37N3O2
InChI InChI=1S/C28H37N3O2/c1-4-30(5-2)28(32)23-14-17-26-25(19-23)29-27(31(26)20-22-10-8-7-9-11-22)18-21-12-15-24(16-13-21)33-6-3/h12-17,19,22H,4-11,18,20H2,1-3H3
InChIKey WRVZBXHTUOPQJS-UHFFFAOYSA-N
Molecular Weight 447.623 g/mol
SMILES c1(ccc(cc1)OCC)Cc1[n](c2c(n1)cc(cc2)C(N(CC)CC)=O)CC1CCCCC1
SPLASH splash10-004j-3459500000-8a172dec0826120ccba0
Source of Spectrum SWG-33-4156-0
Synonyms N-Methylcyclohexyl benzimidazole analog 1 1-(Cyclohexylmethyl)-2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1H-benzimidazole-5-carboxamide 1-(cyclohexylmethyl)-2-(4-ethoxybenzyl)-N,N-diethyl-1H-benzo[d]imidazole-5-carboxamide
Wiley ID 1810800