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2-(Trifluoromethoxy)phenyl isocyanate

View entire compound with spectra: 2 NMR, 4 FTIR, and 1 Raman

2-(Trifluoromethoxy)phenyl isocyanate
SpectraBase Compound ID GsjyVxN43UX
InChI InChI=1S/C8H4F3NO2/c9-8(10,11)14-7-4-2-1-3-6(7)12-5-13/h1-4H
InChIKey CTMGYQHKKIEXKF-UHFFFAOYSA-N
Mol Weight 203.12 g/mol
Molecular Formula C8H4F3NO2
Exact Mass 203.019413 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JtJZCfD2fDI
Name 2-(Trifluoromethoxy)phenyl isocyanate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 348376
CAS Registry Number 182500-26-1
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H4F3NO2
InChI InChI=1S/C8H4F3NO2/c9-8(10,11)14-7-4-2-1-3-6(7)12-5-13/h1-4H
InChIKey CTMGYQHKKIEXKF-UHFFFAOYSA-N
Observed nucleus 1H
Purity 95%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_1HNMR_007240