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

*Links on SpectraBase are not permalinks.
Isothiocyanic acid, benzyl ester
SpectraBase Compound ID 9jITZM8HycG
InChI InChI=1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2
InChIKey MDKCFLQDBWCQCV-UHFFFAOYSA-N
Mol Weight 149.21 g/mol
Molecular Formula C8H7NS
Exact Mass 149.02992 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 KYxodYddFpy
Name Benzyl isothiocyanate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7NS
InChI InChI=1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2
InChIKey MDKCFLQDBWCQCV-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.8.6
Molecular Weight 149.211 g/mol
SMILES C(N=C=S)c1ccccc1
SPLASH splash10-0006-9200000000-671f09bd463b9d8ec17d
Source of Spectrum BJO-8-SM8-8-1
Wiley ID 1867389