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5-Fluoro-2-(trifluoromethyl)benzoic acid

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

5-Fluoro-2-(trifluoromethyl)benzoic acid
SpectraBase Compound ID 1Hlu3q3WFQl
InChI InChI=1S/C8H4F4O2/c9-4-1-2-6(8(10,11)12)5(3-4)7(13)14/h1-3H,(H,13,14)
InChIKey BRFNBGWEOKQIND-UHFFFAOYSA-N
Mol Weight 208.11 g/mol
Molecular Formula C8H4F4O2
Exact Mass 208.014742 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5w0ZycA3lRJ
Name 5-Fluoro-2-(trifluoromethyl)benzoic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 455334
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H4F4O2
InChI InChI=1S/C8H4F4O2/c9-4-1-2-6(8(10,11)12)5(3-4)7(13)14/h1-3H,(H,13,14)
InChIKey BRFNBGWEOKQIND-UHFFFAOYSA-N
Molecular Weight 208.112 g/mol
Observed nucleus 1H
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_1HNMR_014487