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2,5-Difluorocinnamic acid

View entire compound with spectra: 2 NMR, 5 FTIR, 1 Raman, and 2 MS (GC)

2,5-Difluorocinnamic acid
SpectraBase Compound ID FWViG4zhBmQ
InChI InChI=1S/C9H6F2O2/c10-7-2-3-8(11)6(5-7)1-4-9(12)13/h1-5H,(H,12,13)/b4-1+
InChIKey XAWHCSKPALFWBI-DAFODLJHSA-N
Mol Weight 184.14 g/mol
Molecular Formula C9H6F2O2
Exact Mass 184.033586 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 48CrRHyl5yn
Name trans-2,5-Difluorocinnamic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 290343
CAS Registry Number 112898-33-6
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H6F2O2
InChI InChI=1S/C9H6F2O2/c10-7-2-3-8(11)6(5-7)1-4-9(12)13/h1-5H,(H,12,13)/b4-1+
InChIKey XAWHCSKPALFWBI-DAFODLJHSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3 & DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_005555