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Butyric acid, 3-(2,5-dimethylbenzoyl)-

View entire compound with spectra: 2 MS (GC)

Butyric acid, 3-(2,5-dimethylbenzoyl)-
SpectraBase Compound ID B2ciRcDYqp1
InChI InChI=1S/C13H16O3/c1-8-4-5-9(2)11(6-8)13(16)10(3)7-12(14)15/h4-6,10H,7H2,1-3H3,(H,14,15)
InChIKey ZYCTURVYTQAFJB-UHFFFAOYSA-N
Mol Weight 220.27 g/mol
Molecular Formula C13H16O3
Exact Mass 220.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 90cLMsr8hYK
Name Butyric acid, 3-(2,5-dimethylbenzoyl)-
CAS Registry Number 16206-39-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-8-4-5-9(2)11(6-8)13(16)10(3)7-12(14)15/h4-6,10H,7H2,1-3H3,(H,14,15)
InChIKey ZYCTURVYTQAFJB-UHFFFAOYSA-N
Molecular Weight 220.268 g/mol
SMILES OC(CC(C)C(c1cc(C)ccc1C)=O)=O
SPLASH splash10-0a59-8900000000-22642229bc37679c80fb
Source of Spectrum TX-0-191-0
Synonyms 4-(2,5-Dimethylphenyl)-3-methyl-4-oxobutanoic acid 4-(2,5-dimethylphenyl)-3-methyl-4-oxidanylidene-butanoic acid 4-(2,5-dimethylphenyl)-4-keto-3-methyl-butyric acid
Wiley ID 1219854