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alpha,alpha,alpha-Trifluoro-p-tolunitrile

View entire compound with spectra: 11 NMR, 4 FTIR, 1 Raman, 6 MS (GC), and 2 Near IR

alpha,alpha,alpha-Trifluoro-p-tolunitrile
SpectraBase Compound ID 56MoWOwlpkB
InChI InChI=1S/C8H4F3N/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-4H
InChIKey DRNJIKRLQJRKMM-UHFFFAOYSA-N
Mol Weight 171.12 g/mol
Molecular Formula C8H4F3N
Exact Mass 171.029584 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6y4G4l6DsQt
Name 4-(Trifluoromethyl)benzonitrile
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 196681
CAS Registry Number 455-18-5
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H4F3N
InChI InChI=1S/C8H4F3N/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-4H
InChIKey DRNJIKRLQJRKMM-UHFFFAOYSA-N
Observed nucleus 13C
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms alpha,alpha,alpha-Trifluoro-p-tolunitrile
Wiley ID SIAL_13CNMR_002796