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

*Links on SpectraBase are not permalinks.

isothiocyanic acid, phenethyl ester

View entire compound with spectra: 2 NMR, 6 FTIR, 1 Raman, and 7 MS (GC)

isothiocyanic acid, phenethyl ester
SpectraBase Compound ID 9dFv9PLIXJ2
InChI InChI=1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2
InChIKey IZJDOKYDEWTZSO-UHFFFAOYSA-N
Mol Weight 163.24 g/mol
Molecular Formula C9H9NS
Exact Mass 163.04557 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID FCC5xyrukaC
Name 2-Phenylethyl isothiocyanate
Source of Sample Aldrich
Catalog Number W401404
CAS Registry Number 2257-09-2
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9NS
InChI InChI=1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2
InChIKey IZJDOKYDEWTZSO-UHFFFAOYSA-N
Purity >=99%, FG
Synonyms Phenethyl isothiocyanate; 2-Phenylethyl isothiocyanate
Wiley ID SIAL_ATR-IR_038641