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3-(2,4-dimethylbenzoyl)propionic acid

View entire compound with spectra: 3 NMR, 1 FTIR, 1 UV-Vis, and 1 MS (GC)

3-(2,4-dimethylbenzoyl)propionic acid
SpectraBase Compound ID 5qRmJHxhR3n
InChI InChI=1S/C12H14O3/c1-8-3-4-10(9(2)7-8)11(13)5-6-12(14)15/h3-4,7H,5-6H2,1-2H3,(H,14,15)
InChIKey JYLUOTCHTVZCDL-UHFFFAOYSA-N
Mol Weight 206.24 g/mol
Molecular Formula C12H14O3
Exact Mass 206.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FfR9DpKBps
Name 4-(2,4-Dimethylphenyl)-4-oxobutanoic acid
Alternate Name(s) 3-(2,4-Dimethylbenzoyl)propionic acid 4-(2,4-dimethylphenyl)-4-oxo-butanoic acid 4-(2,4-dimethylphenyl)-4-oxidanylidene-butanoic acid
CAS Registry Number 15880-03-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O3
InChI InChI=1S/C12H14O3/c1-8-3-4-10(9(2)7-8)11(13)5-6-12(14)15/h3-4,7H,5-6H2,1-2H3,(H,14,15)
InChIKey JYLUOTCHTVZCDL-UHFFFAOYSA-N
Molecular Weight 206.241 g/mol
SMILES OC(CCC(c1ccc(C)cc1C)=O)=O
SPLASH splash10-001i-2910000000-83c913f3732610279441
Source of Spectrum NP-4-4458-0
Wiley ID 1103946