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4-Acetylbenzoic acid

View entire compound with spectra: 6 NMR, 5 FTIR, 2 Raman, and 4 MS (GC)

4-Acetylbenzoic acid
SpectraBase Compound ID GwBSxEXN1QN
InChI InChI=1S/C9H8O3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5H,1H3,(H,11,12)
InChIKey QBHDSQZASIBAAI-UHFFFAOYSA-N
Mol Weight 164.16 g/mol
Molecular Formula C9H8O3
Exact Mass 164.047344 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 75DytzIu7Y1
Name 4-Acetylbenzoic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 177458
CAS Registry Number 586-89-0
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8O3
InChI InChI=1S/C9H8O3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5H,1H3,(H,11,12)
InChIKey QBHDSQZASIBAAI-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Acetophenone-4-carboxylic acid
Wiley ID SIAL_13CNMR_002173