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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

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EmHl36yHQsx
Name 3-(Trifluoromethyl)phenyl isothiocyanate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 252824
CAS Registry Number 1840-19-3
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 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
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_004392