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2-Fluoro-4-(trifluoromethyl)benzonitrile

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

2-Fluoro-4-(trifluoromethyl)benzonitrile
SpectraBase Compound ID CxlTECjhhO8
InChI InChI=1S/C8H3F4N/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-3H
InChIKey JLTYVTXTSOYXMX-UHFFFAOYSA-N
Mol Weight 189.11 g/mol
Molecular Formula C8H3F4N
Exact Mass 189.020162 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4fWnbPNuZl3
Name 2-Fluoro-4-(trifluoromethyl)benzonitrile
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 335606
CAS Registry Number 146070-34-0
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H3F4N
InChI InChI=1S/C8H3F4N/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-3H
InChIKey JLTYVTXTSOYXMX-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms alpha,alpha,alpha,2-Tetrafluoro-p-tolunitrile
Wiley ID SIAL_13CNMR_006835