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3-Chloro-4-fluorobenzoic acid

View entire compound with spectra: 3 NMR, 4 FTIR, 1 Raman, and 1 MS (GC)

3-Chloro-4-fluorobenzoic acid
SpectraBase Compound ID CJDOHRAX1n4
InChI InChI=1S/C7H4ClFO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H,10,11)
InChIKey PKTSBFXIHLYGEY-UHFFFAOYSA-N
Mol Weight 174.56 g/mol
Molecular Formula C7H4ClFO2
Exact Mass 173.988385 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6vG2kYJQpvT
Name 3-Chloro-4-fluorobenzoic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 369098
CAS Registry Number 403-16-7
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H4ClFO2
InChI InChI=1S/C7H4ClFO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H,10,11)
InChIKey PKTSBFXIHLYGEY-UHFFFAOYSA-N
Observed nucleus 1H
Purity 95%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_1HNMR_007807