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3-Benzoylpropionic acid
SpectraBase Compound ID BmbQw8aYyZZ
InChI InChI=1S/C10H10O3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)
InChIKey KMQLIDDEQAJAGJ-UHFFFAOYSA-N
Mol Weight 178.19 g/mol
Molecular Formula C10H10O3
Exact Mass 178.062994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 30qpJUyXxCV
Name 4-Oxo-4-phenybutyric acid
CAS Registry Number 2051-95-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H10O3
InChI InChI=1S/C10H10O3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)
InChIKey KMQLIDDEQAJAGJ-UHFFFAOYSA-N
Molecular Weight 178.187 g/mol
SMILES OC(CCC(=O)c1ccccc1)=O
SPLASH splash10-0a6r-9600000000-f18660e1a1d19a6e3969
Source of Spectrum TX-0-160-0
Synonyms 4-Oxo-4-phenylbutanoic acid Benzenebutanoic acid, .gamma.-oxo- .beta.-Benzoylpropionic acid 3-Benzoylpropanoic acid 3-Benzoylpropionic acid Propionic acid, 3-benzoyl- 4-keto-4-phenyl-butyric acid 4-Oxidanylidene-4-phenyl-butanoic acid 4-Oxo-4-phenyl-butanoic acid 4-Oxo-4-phenyl-butyric acid Benzenebutanoic acid, gamma-oxo- Propanoic acid, 3-benzoyl- AI3-03666 EINECS 218-135-0 NSC 2092 NSC 229040 NSC 51010
Wiley ID 1173907