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

*Links on SpectraBase are not permalinks.
Benzoyl isothiocyanate
SpectraBase Compound ID LGMXaNKysa0
InChI InChI=1S/C8H5NOS/c10-8(9-6-11)7-4-2-1-3-5-7/h1-5H
InChIKey CPEKAXYCDKETEN-UHFFFAOYSA-N
Mol Weight 163.19 g/mol
Molecular Formula C8H5NOS
Exact Mass 163.009185 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID FZPqRt16LpI
Name Benzoyl isothiocyanate
CAS Registry Number 532-55-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H5NOS
InChI InChI=1S/C8H5NOS/c10-8(9-6-11)7-4-2-1-3-5-7/h1-5H
InChIKey CPEKAXYCDKETEN-UHFFFAOYSA-N
Molecular Weight 163.194 g/mol
SMILES c1cc(ccc1)C(N=C=S)=O
SPLASH splash10-0a6r-7900000000-2de50d4083e010809a6a
Source of Spectrum NP-17-3897-0
Synonyms Benzoic acid, anhydride with HNCS Benzoic acid, anhydride with isothiocyanic acid Benzoylthiocarbimide
Wiley ID 1100275