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4-Chloro-3-(trifluoromethyl)phenyl isocyanate

View entire compound with spectra: 2 NMR, 3 FTIR, 1 Raman, and 3 MS (GC)

4-Chloro-3-(trifluoromethyl)phenyl isocyanate
SpectraBase Compound ID E2GfAEi8xr8
InChI InChI=1S/C8H3ClF3NO/c9-7-2-1-5(13-4-14)3-6(7)8(10,11)12/h1-3H
InChIKey NBJZEUQTGLSUOB-UHFFFAOYSA-N
Mol Weight 221.57 g/mol
Molecular Formula C8H3ClF3NO
Exact Mass 220.985526 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4gHUhr96rSM
Name 1-Chloranyl-4-isocyanato-2-(trifluoromethyl)benzene
Alternate Name(s) 1-Chloro-4-isocyanato-2-(trifluoromethyl)benzene
CAS Registry Number 327-78-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H3ClF3NO
InChI InChI=1S/C8H3ClF3NO/c9-7-2-1-5(13-4-14)3-6(7)8(10,11)12/h1-3H
InChIKey NBJZEUQTGLSUOB-UHFFFAOYSA-N
Molecular Weight 221.566 g/mol
SMILES c1(C(F)(F)F)c(ccc(N=C=O)c1)Cl
SPLASH splash10-00di-0290000000-371744b82b2ac84194b7
Source of Spectrum CJ-1992-0-0
Wiley ID 1221016