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3,4-Difluorobenzoic acid

View entire compound with spectra: 6 NMR, 4 FTIR, 1 Raman, and 1 MS (GC)

3,4-Difluorobenzoic acid
SpectraBase Compound ID IC1BSGALsWX
InChI InChI=1S/C7H4F2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)
InChIKey FPENCTDAQQQKNY-UHFFFAOYSA-N
Mol Weight 158.1 g/mol
Molecular Formula C7H4F2O2
Exact Mass 158.017936 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4EMvgcn46CT
Name 3,4-Difluorobenzoic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 264318
CAS Registry Number 455-86-7
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H4F2O2
InChI InChI=1S/C7H4F2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)
InChIKey FPENCTDAQQQKNY-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_004764