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2,5-Bis(trifluoromethyl)benzoic acid

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

2,5-Bis(trifluoromethyl)benzoic acid
SpectraBase Compound ID CRIEx4OTi8H
InChI InChI=1S/C9H4F6O2/c10-8(11,12)4-1-2-6(9(13,14)15)5(3-4)7(16)17/h1-3H,(H,16,17)
InChIKey PINBPLCVZSKLTF-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 FLMTlonRMg3
Name 2,5-Bis(trifluoromethyl)benzoic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 325279
CAS Registry Number 42580-42-7
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)4-1-2-6(9(13,14)15)5(3-4)7(16)17/h1-3H,(H,16,17)
InChIKey PINBPLCVZSKLTF-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 2,5-Bis benzoicacid AK-35130 2,5-di(trifluoromethyl)benzoic acid
Wiley ID SIAL_13CNMR_006477