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

*Links on SpectraBase are not permalinks.

1-Octadecyl-1H-1,3-benzodiazole-2-thiol

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

1-Octadecyl-1H-1,3-benzodiazole-2-thiol
SpectraBase Compound ID 8o6sN3ti8Ym
InChI InChI=1S/C25H42N2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-27-24-21-18-17-20-23(24)26-25(27)28/h17-18,20-21H,2-16,19,22H2,1H3,(H,26,28)
InChIKey KHDDHGCKJHOEKC-UHFFFAOYSA-N
Mol Weight 402.7 g/mol
Molecular Formula C25H42N2S
Exact Mass 402.306871 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 CJhuxtqVuTI
Name 1-Octadecyl-1H-1,3-benzodiazole-2-thiol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.306870534 u
Formula C25H42N2S
InChI InChI=1S/C25H42N2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-27-24-21-18-17-20-23(24)26-25(27)28/h17-18,20-21H,2-16,19,22H2,1H3,(H,26,28)
InChIKey KHDDHGCKJHOEKC-UHFFFAOYSA-N
Molecular Weight 402.685 g/mol
SMILES C1=CC=C2N(C(=NC2=C1)S)CCCCCCCCCCCCCCCCCC