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4-Chloro-3-(trifluoromethyl)phenyl isothiocyanate

View entire compound with spectra: 2 NMR

4-Chloro-3-(trifluoromethyl)phenyl isothiocyanate
SpectraBase Compound ID IxGT3uvwzPk
InChI InChI=1S/C8H3ClF3NS/c9-7-2-1-5(13-4-14)3-6(7)8(10,11)12/h1-3H
InChIKey AHFPRSSHNSGRCU-UHFFFAOYSA-N
Mol Weight 237.63 g/mol
Molecular Formula C8H3ClF3NS
Exact Mass 236.962682 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FkPYm1KGcTb
Name 4-Chloro-3-(trifluoromethyl)phenyl isothiocyanate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 525340
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H3ClF3NS
InChI InChI=1S/C8H3ClF3NS/c9-7-2-1-5(13-4-14)3-6(7)8(10,11)12/h1-3H
InChIKey AHFPRSSHNSGRCU-UHFFFAOYSA-N
Molecular Weight 237.627 g/mol
Observed nucleus 13C
Purity 97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_015110