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3-(Trifluoromethyl)phenyl isocyanate

View entire compound with spectra: 3 NMR, 8 FTIR, 2 Raman, and 1 MS (GC)

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

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DgZyORbyV3i
Name ISOCYANIC ACID, alpha,alpha,alpha-TRIFLUORO-m-TOLYL ESTER
Source of Sample Fluka AG, Buchs, Switzerland
Boiling Point 54C/11mm
CAS Registry Number 329-01-1
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 187.12
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms ISOCYANIC ACID, A,A,A-TRIFLUORO-M-TOLYL ESTER