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4-Benzoylbutyric acid

View entire compound with spectra: 5 NMR, 6 FTIR, 3 Raman, and 9 MS (GC)

4-Benzoylbutyric acid
SpectraBase Compound ID 3MHo3OTt0uY
InChI InChI=1S/C11H12O3/c12-10(7-4-8-11(13)14)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,13,14)
InChIKey SHKWSBAVRQZYLE-UHFFFAOYSA-N
Mol Weight 192.21 g/mol
Molecular Formula C11H12O3
Exact Mass 192.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5rZJmIBbgB0
Name 4-Benzoyl-1-butyric acid
CAS Registry Number 1501-05-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O3
InChI InChI=1S/C11H12O3/c12-10(7-4-8-11(13)14)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,13,14)
InChIKey SHKWSBAVRQZYLE-UHFFFAOYSA-N
Molecular Weight 192.214 g/mol
SMILES OC(CCCC(=O)c1ccccc1)=O
SPLASH splash10-0adl-5900000000-967b1923a8f61a2f084a
Source of Spectrum KC-57-1080-5
Synonyms Benzenepentanoic acid, .delta.-oxo- 5-Oxo-5-phenylpentanoic acid 4-Benzoylbutyric acid 5-Oxo-5-phenyl-pentanoic acid 5-keto-5-phenyl-valeric acid 5-Oxidanylidene-5-phenyl-pentanoic acid EINECS 216-113-5 NSC 10139
Wiley ID 1622794