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

*Links on SpectraBase are not permalinks.
N-(Tert-butyl)-4-(methylthio)-2-[2-(p-tolyl)-benzo[D]imidazol-1-yl]butanamide
SpectraBase Compound ID 2nwHs6L2t0t
InChI InChI=1S/C23H29N3OS/c1-16-10-12-17(13-11-16)21-24-18-8-6-7-9-19(18)26(21)20(14-15-28-5)22(27)25-23(2,3)4/h6-13,20H,14-15H2,1-5H3,(H,25,27)
InChIKey BVBXLFDAEBPJQD-UHFFFAOYSA-N
Mol Weight 395.57 g/mol
Molecular Formula C23H29N3OS
Exact Mass 395.203134 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 BOQuM8BbG9U
Name N-(Tert-butyl)-4-(methylthio)-2-[2-(p-tolyl)-benzo[D]imidazol-1-yl]butanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 395.203133739 u
Formula C23H29N3OS
InChI InChI=1S/C23H29N3OS/c1-16-10-12-17(13-11-16)21-24-18-8-6-7-9-19(18)26(21)20(14-15-28-5)22(27)25-23(2,3)4/h6-13,20H,14-15H2,1-5H3,(H,25,27)
InChIKey BVBXLFDAEBPJQD-UHFFFAOYSA-N
Molecular Weight 395.565 g/mol
SMILES C(C(CCSC)N1C(=NC=2C1=CC=CC2)C1=CC=C(C=C1)C)(=O)NC(C)(C)C