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

*Links on SpectraBase are not permalinks.
Methyl 1-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-bromophenyl)-1H-benzo[d]imidazole-5-carboxylate
SpectraBase Compound ID LQvIlVcG5RD
InChI InChI=1S/C22H21BrN4O2/c1-22(2,3)18-12-19(26-25-18)27-17-10-7-14(21(28)29-4)11-16(17)24-20(27)13-5-8-15(23)9-6-13/h5-12H,1-4H3,(H,25,26)
InChIKey WBOKGYYJQVCGCB-UHFFFAOYSA-N
Mol Weight 453.34 g/mol
Molecular Formula C22H21BrN4O2
Exact Mass 452.084789 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 K88Hwnf5KXP
Name Methyl 1-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-bromophenyl)-1H-benzo[d]imidazole-5-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21BrN4O2
InChI InChI=1S/C22H21BrN4O2/c1-22(2,3)18-12-19(26-25-18)27-17-10-7-14(21(28)29-4)11-16(17)24-20(27)13-5-8-15(23)9-6-13/h5-12H,1-4H3,(H,25,26)
InChIKey WBOKGYYJQVCGCB-UHFFFAOYSA-N
Molecular Weight 453.340 g/mol
SMILES [nH]1c(cc(n1)-[n]1c(nc2c1ccc(C(=O)OC)c2)-c1ccc(cc1)Br)C(C)(C)C
SPLASH splash10-0udi-0000900000-300511e9df3bf20fe507
Source of Spectrum F2-46-4067-11a
Synonyms 2-(4-bromophenyl)-1-(5-tert-butyl-1H-pyrazol-3-yl)-5-benzimidazolecarboxylic acid methyl ester Methyl 2-(4-bromophenyl)-1-(5-tert-butyl-1H-pyrazol-3-yl)benzimidazole-5-carboxylate
Wiley ID 1689963