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

*Links on SpectraBase are not permalinks.
acetic acid, [[1-(phenylmethyl)-1H-benzimidazol-2-yl]thio]-, 2-[(E)-(4-methylphenyl)methylidene]hydrazide
SpectraBase Compound ID 64aj4C4G1o9
InChI InChI=1S/C24H22N4OS/c1-18-11-13-19(14-12-18)15-25-27-23(29)17-30-24-26-21-9-5-6-10-22(21)28(24)16-20-7-3-2-4-8-20/h2-15H,16-17H2,1H3,(H,27,29)/b25-15+
InChIKey XSIMLBGSBIPFGS-MFKUBSTISA-N
Mol Weight 414.53 g/mol
Molecular Formula C24H22N4OS
Exact Mass 414.151433 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 L98r2O8CQBB
Name Acetic acid, [[1-(phenylmethyl)-1H-benzimidazol-2-yl]thio]-, 2-[(E)-(4-methylphenyl)methylidene]hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 414.151432517 u
Formula C24H22N4OS
InChI InChI=1S/C24H22N4OS/c1-18-11-13-19(14-12-18)15-25-27-23(29)17-30-24-26-21-9-5-6-10-22(21)28(24)16-20-7-3-2-4-8-20/h2-15H,16-17H2,1H3,(H,27,29)/b25-15+
InChIKey XSIMLBGSBIPFGS-MFKUBSTISA-N
Molecular Weight 414.527 g/mol
SMILES N(\N=C\C=1C=CC(=CC1)C)C(CSC=1N(C=2C=CC=CC2N1)CC=1C=CC=CC1)=O