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4-Chloro-2-(trifluoromethyl)phenyl isocyanate

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

4-Chloro-2-(trifluoromethyl)phenyl isocyanate
SpectraBase Compound ID Dw9nEc4rMNo
InChI InChI=1S/C8H3ClF3NO/c9-5-1-2-7(13-4-14)6(3-5)8(10,11)12/h1-3H
InChIKey SBDPJLJFODHSFF-UHFFFAOYSA-N
Mol Weight 221.57 g/mol
Molecular Formula C8H3ClF3NO
Exact Mass 220.985526 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 74zMAP7DEMw
Name 4-Chloro-2-(trifluoromethyl)phenyl isocyanate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 374873
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H3ClF3NO
InChI InChI=1S/C8H3ClF3NO/c9-5-1-2-7(13-4-14)6(3-5)8(10,11)12/h1-3H
InChIKey SBDPJLJFODHSFF-UHFFFAOYSA-N
Molecular Weight 221.566 g/mol
Observed nucleus 13C
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_014007