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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IQCiB78pzp7
Name 4-Acetylbenzoic acid
CAS Registry Number 586-89-0
Copyright Copyright © 2020-2024 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
Molecular Weight 164.160 g/mol
SMILES OC(c1ccc(C(C)=O)cc1)=O
SPLASH splash10-00di-2900000000-7e0c84b887ad3f87e0ed
Source of Spectrum JH-306-0-0
Synonyms 4-Ethanoylbenzoic acid Benzoic acid, 4-acetyl- EINECS 209-588-5
Wiley ID 1160070