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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

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 2M1mXuHfWe5
Name 2-Phenylethyl isothiocyanate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number W401404
CAS Registry Number 2257-09-2
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 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
Molecular Weight 163.238 g/mol
Purity >=99%
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Phenethyl isothiocyanate; 2-Phenylethyl isothiocyanate
Wiley ID SIAL_FF-FTIR_002096