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3-(Trifluoromethyl)phenyl isothiocyanate

View entire compound with spectra: 2 NMR, 5 FTIR, 2 Raman, and 3 MS (GC)

3-(Trifluoromethyl)phenyl isothiocyanate
SpectraBase Compound ID 5QWu1hKsmvx
InChI InChI=1S/C8H4F3NS/c9-8(10,11)6-2-1-3-7(4-6)12-5-13/h1-4H
InChIKey GFEPANUKFYVALF-UHFFFAOYSA-N
Mol Weight 203.18 g/mol
Molecular Formula C8H4F3NS
Exact Mass 203.001655 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID LRuNmWs1zrP
Name 3-(Trifluoromethyl)phenyl isothiocyanate
Source of Sample Aldrich
Catalog Number 252824
CAS Registry Number 1840-19-3
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 C8H4F3NS
InChI InChI=1S/C8H4F3NS/c9-8(10,11)6-2-1-3-7(4-6)12-5-13/h1-4H
InChIKey GFEPANUKFYVALF-UHFFFAOYSA-N
Purity 98%
Source of Spectrum Sigma-Aldrich Co. LLC.
Technique Neat
Wiley ID SIAL_FTIR_1_4868