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

*Links on SpectraBase are not permalinks.

benzoic acid, 4-[[[(1-methyl-1H-benzimidazol-2-yl)thio]acetyl]amino]-,butyl ester

View entire compound with spectra: 1 NMR

benzoic acid, 4-[[[(1-methyl-1H-benzimidazol-2-yl)thio]acetyl]amino]-,butyl ester
SpectraBase Compound ID CrMpOzItpES
InChI InChI=1S/C21H23N3O3S/c1-3-4-13-27-20(26)15-9-11-16(12-10-15)22-19(25)14-28-21-23-17-7-5-6-8-18(17)24(21)2/h5-12H,3-4,13-14H2,1-2H3,(H,22,25)
InChIKey PMSXDXBDTFOHHH-UHFFFAOYSA-N
Mol Weight 397.49 g/mol
Molecular Formula C21H23N3O3S
Exact Mass 397.146013 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID BDtlsSor4ja
Name benzoic acid, 4-[[[(1-methyl-1H-benzimidazol-2-yl)thio]acetyl]amino]-,butyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 397.146012784 u
Formula C21H23N3O3S
InChI InChI=1S/C21H23N3O3S/c1-3-4-13-27-20(26)15-9-11-16(12-10-15)22-19(25)14-28-21-23-17-7-5-6-8-18(17)24(21)2/h5-12H,3-4,13-14H2,1-2H3,(H,22,25)
InChIKey PMSXDXBDTFOHHH-UHFFFAOYSA-N
Molecular Weight 397.493 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6323
Solvent DMSO-d6
Source Vendor ID: NMR/9215814; Lab Info: LP; Lab Number: LP-2190188