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4-Trifluoromethyl-phenylisocyanate

View entire compound with spectra: 4 NMR, 5 FTIR, 2 Raman, and 1 MS (GC)

4-Trifluoromethyl-phenylisocyanate
SpectraBase Compound ID GZ52i6AU2Tk
InChI InChI=1S/C8H4F3NO/c9-8(10,11)6-1-3-7(4-2-6)12-5-13/h1-4H
InChIKey QZTWVDCKDWZCLV-UHFFFAOYSA-N
Mol Weight 187.12 g/mol
Molecular Formula C8H4F3NO
Exact Mass 187.024498 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID K7i6ZvUnsAL
Name 4-(Trifluoromethyl)phenyl isocyanate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 250821
CAS Registry Number 1548-13-6
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H4F3NO
InChI InChI=1S/C8H4F3NO/c9-8(10,11)6-1-3-7(4-2-6)12-5-13/h1-4H
InChIKey QZTWVDCKDWZCLV-UHFFFAOYSA-N
Observed nucleus 13C
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms alpha,alpha,alpha-Trifluoro-p-tolyl isocyanate
Wiley ID SIAL_13CNMR_004300