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

*Links on SpectraBase are not permalinks.

N,N'-Bis[2-(phenylthio)benzylidene]benzidine

View entire compound with spectra: 1 NMR, and 2 MS (GC)

N,N'-Bis[2-(phenylthio)benzylidene]benzidine
SpectraBase Compound ID 1zNEV4OWbQ6
InChI InChI=1S/C38H28N2S2/c1-3-13-35(14-4-1)41-37-17-9-7-11-31(37)27-39-33-23-19-29(20-24-33)30-21-25-34(26-22-30)40-28-32-12-8-10-18-38(32)42-36-15-5-2-6-16-36/h1-28H/b39-27+,40-28+
InChIKey DJSLJLWXIYWCLP-SDOZPZOWSA-N
Mol Weight 576.8 g/mol
Molecular Formula C38H28N2S2
Exact Mass 576.169391 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 6BE29ZAmNUV
Name N,N'-bis[2-(Phenylthio)benzylidene]benzidine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 576.169391258 u
Formula C38H28N2S2
InChI InChI=1S/C38H28N2S2/c1-3-13-35(14-4-1)41-37-17-9-7-11-31(37)27-39-33-23-19-29(20-24-33)30-21-25-34(26-22-30)40-28-32-12-8-10-18-38(32)42-36-15-5-2-6-16-36/h1-28H/b39-27+,40-28+
InChIKey DJSLJLWXIYWCLP-SDOZPZOWSA-N
Molecular Weight 576.776 g/mol
SMILES C1=CC=C(C=C1)SC1=C(\C=N\C2=CC=C(C3=CC=C(\N=C\C4=C(SC5=CC=CC=C5)C=CC=C4)C=C3)C=C2)C=CC=C1