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

*Links on SpectraBase are not permalinks.
4-Acetylphenyl isothiocyanate
SpectraBase Compound ID Ck49CDet6XY
InChI InChI=1S/C9H7NOS/c1-7(11)8-2-4-9(5-3-8)10-6-12/h2-5H,1H3
InChIKey KAKXOESNHIUYJT-UHFFFAOYSA-N
Mol Weight 177.22 g/mol
Molecular Formula C9H7NOS
Exact Mass 177.024835 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 CUpipuvkoFn
Name 4-Acetylphenyl isothiocyanate
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7NOS
InChI InChI=1S/C9H7NOS/c1-7(11)8-2-4-9(5-3-8)10-6-12/h2-5H,1H3
InChIKey KAKXOESNHIUYJT-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.8.6
Molecular Weight 177.221 g/mol
SMILES c1(N=C=S)ccc(cc1)C(=O)C
SPLASH splash10-03fr-1900000000-0d1916afa29c1db1c0f0
Source of Spectrum BJO-8-SM20-20-1
Wiley ID 1867381