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3-(Trifluoromethylthio)phenyl isothiocyanate

View entire compound with spectra: 2 NMR

3-(Trifluoromethylthio)phenyl isothiocyanate
SpectraBase Compound ID Jqly5IcAi3d
InChI InChI=1S/C8H4F3NS2/c9-8(10,11)14-7-3-1-2-6(4-7)12-5-13/h1-4H
InChIKey ZVMPEUKZYDFXQN-UHFFFAOYSA-N
Mol Weight 235.24 g/mol
Molecular Formula C8H4F3NS2
Exact Mass 234.973726 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FHBH0brHebN
Name 3-(Trifluoromethylthio)phenyl isothiocyanate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 525375
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H4F3NS2
InChI InChI=1S/C8H4F3NS2/c9-8(10,11)14-7-3-1-2-6(4-7)12-5-13/h1-4H
InChIKey ZVMPEUKZYDFXQN-UHFFFAOYSA-N
Molecular Weight 235.242 g/mol
Observed nucleus 13C
Purity 97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_015113