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3-(Trifluoromethyl)phenyl isocyanate
SpectraBase Compound ID 25WbSZhnI9o
InChI InChI=1S/C8H4F3NO/c9-8(10,11)6-2-1-3-7(4-6)12-5-13/h1-4H
InChIKey SXJYSIBLFGQAND-UHFFFAOYSA-N
Mol Weight 187.12 g/mol
Molecular Formula C8H4F3NO
Exact Mass 187.024498 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DqNQTjEFDtN
Name 1-Isocyanato-3-(trifluoromethyl)benzene
Alternate Name(s) .alpha.,.alpha.,.alpha.-Trifluoro-3-tolyl isocyanate .alpha.,.alpha.,.alpha.-Trifluoro-m-tolyl isocyanate .alpha.,.alpha.,.alpha.-Trifluoro-meta-tolylisocyanate 3-(Trifluoromethyl)phenyl isocyanate Benzene, 1-isocyanato-3-(trifluoromethyl)- Isocyanic acid m-trifluoromethylphenyl ester Isocyanic acid, .alpha.,.alpha.,.alpha.-trifluoro-m-tolyl ester Isocyanobenzotrifluoride m-(Trifluoromethyl)phenyl isocyanate BRN 0744880 EINECS 206-341-3
CAS Registry Number 329-01-1
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Formula C8H4F3NO
InChI InChI=1S/C8H4F3NO/c9-8(10,11)6-2-1-3-7(4-6)12-5-13/h1-4H
InChIKey SXJYSIBLFGQAND-UHFFFAOYSA-N
Molecular Weight 187.121 g/mol
SMILES c1cc(cc(c1)N=C=O)C(F)(F)F
SPLASH splash10-000i-4900000000-cf71306623960c7754c7
Source of Spectrum W6-14014-0-0
Wiley ID 89690