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3,5-Bis(trifluoromethyl)phenyl isocyanate

View entire compound with spectra: 2 NMR, 3 FTIR, and 1 Raman

3,5-Bis(trifluoromethyl)phenyl isocyanate
SpectraBase Compound ID FOAhobdiADy
InChI InChI=1S/C9H3F6NO/c10-8(11,12)5-1-6(9(13,14)15)3-7(2-5)16-4-17/h1-3H
InChIKey NRSSOFNMWSJECS-UHFFFAOYSA-N
Mol Weight 255.12 g/mol
Molecular Formula C9H3F6NO
Exact Mass 255.011883 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GbFe3Bgdpge
Name 3,5-Bis(trifluoromethyl)phenyl isocyanate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 374857
CAS Registry Number 16588-74-2
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H3F6NO
InChI 1S/C9H3F6NO/c10-8(11,12)5-1-6(9(13,14)15)3-7(2-5)16-4-17/h1-3H
InChIKey NRSSOFNMWSJECS-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_008056