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3,5-Bis(trifluoromethyl)benzoic acid

View entire compound with spectra: 2 NMR, 4 FTIR, 2 Raman, and 4 MS (GC)

3,5-Bis(trifluoromethyl)benzoic acid
SpectraBase Compound ID L7vFDraa7pr
InChI InChI=1S/C9H4F6O2/c10-8(11,12)5-1-4(7(16)17)2-6(3-5)9(13,14)15/h1-3H,(H,16,17)
InChIKey HVFQJWGYVXKLTE-UHFFFAOYSA-N
Mol Weight 258.12 g/mol
Molecular Formula C9H4F6O2
Exact Mass 258.011548 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8MqUJmal5eB
Name 3,5-Bis(trifluoromethyl)benzoic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 232882
CAS Registry Number 725-89-3
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H4F6O2
InChI InChI=1S/C9H4F6O2/c10-8(11,12)5-1-4(7(16)17)2-6(3-5)9(13,14)15/h1-3H,(H,16,17)
InChIKey HVFQJWGYVXKLTE-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_003606