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2-Fluoro-6-(trifluoromethyl)benzonitrile

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

2-Fluoro-6-(trifluoromethyl)benzonitrile
SpectraBase Compound ID 4dD48xvIARP
InChI InChI=1S/C8H3F4N/c9-7-3-1-2-6(5(7)4-13)8(10,11)12/h1-3H
InChIKey OGQYJDHTHFAPRN-UHFFFAOYSA-N
Mol Weight 189.11 g/mol
Molecular Formula C8H3F4N
Exact Mass 189.020162 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DrLDR2bwGJk
Name 2-Fluoro-6-(trifluoromethyl)benzonitrile
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 335592
CAS Registry Number 133116-83-3
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/c9-7-3-1-2-6(5(7)4-13)8(10,11)12/h1-3H
InChIKey OGQYJDHTHFAPRN-UHFFFAOYSA-N
Observed nucleus 1H
Purity 97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms alpha,alpha,alpha,6-Tetrafluoro-o-tolunitrile
Wiley ID SIAL_1HNMR_006773