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

*Links on SpectraBase are not permalinks.

3-Phenylpropyl isothiocyanate

View entire compound with spectra: 1 NMR, 2 FTIR, and 1 Raman

3-Phenylpropyl isothiocyanate
SpectraBase Compound ID 7zC5jm2OOCe
InChI InChI=1S/C10H11NS/c12-9-11-8-4-7-10-5-2-1-3-6-10/h1-3,5-6H,4,7-8H2
InChIKey GRUOGLPIAPZLHJ-UHFFFAOYSA-N
Mol Weight 177.26 g/mol
Molecular Formula C10H11NS
Exact Mass 177.061221 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 Iccs7M4HGMP
Name 3-Phenylpropyl isothiocyanate
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Catalog Number L10931
Lot Number USLF003718
CAS Registry Number 2627-27-2
Color Properties Colorless
Copyright Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H11NS
InChI InChI=1S/C10H11NS/c12-9-11-8-4-7-10-5-2-1-3-6-10/h1-3,5-6H,4,7-8H2
InChIKey GRUOGLPIAPZLHJ-UHFFFAOYSA-N
Instrument Name Bruker Tensor 27 FT-IR
Molecular Weight 177.265 g/mol
Physical State Liquid
Purity 98%
Source of Spectrum Bio-Rad Laboratories, Inc.
Technique ATR-Neat (DuraSamplIR II)