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Phenylisothiocyanate

View entire compound with spectra: 26 NMR, 9 FTIR, 1 Raman, 14 MS (GC), and 2 Near IR

Phenylisothiocyanate
SpectraBase Compound ID G3PhJzMRLGe
InChI InChI=1S/C7H5NS/c9-6-8-7-4-2-1-3-5-7/h1-5H
InChIKey QKFJKGMPGYROCL-UHFFFAOYSA-N
Mol Weight 135.18 g/mol
Molecular Formula C7H5NS
Exact Mass 135.01427 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID B1Yy6LchGNk
Name Phenyl isothiocyanate
Source of Sample Sigma
Catalog Number 317861
CAS Registry Number 103-72-0
Classification Aromatic nitriles & cumulated double bonds
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H5NS
InChI InChI=1S/C7H5NS/c9-6-8-7-4-2-1-3-5-7/h1-5H
InChIKey QKFJKGMPGYROCL-UHFFFAOYSA-N
Purity 99%
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms PITC
Technique Neat
Wiley ID SIAL_FTIR_1_6618