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Butyric acid, 3-(2,5-dimethylbenzoyl)-, methyl ester
SpectraBase Compound ID 3AGltWvOCe2
InChI InChI=1S/C14H18O3/c1-9-5-6-10(2)12(7-9)14(16)11(3)8-13(15)17-4/h5-7,11H,8H2,1-4H3
InChIKey QEKOOPKDUCYYHF-UHFFFAOYSA-N
Mol Weight 234.29 g/mol
Molecular Formula C14H18O3
Exact Mass 234.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ymyFlm9P3F
Name Butyric acid, 3-(2,5-dimethylbenzoyl)-, methyl ester
CAS Registry Number 30316-13-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O3
InChI InChI=1S/C14H18O3/c1-9-5-6-10(2)12(7-9)14(16)11(3)8-13(15)17-4/h5-7,11H,8H2,1-4H3
InChIKey QEKOOPKDUCYYHF-UHFFFAOYSA-N
Molecular Weight 234.295 g/mol
SMILES C(CC(C)C(c1c(ccc(c1)C)C)=O)(=O)OC
SPLASH splash10-053r-4920000000-8e6126d9734bb3c45416
Source of Spectrum JX-2015-6-8682
Synonyms Methyl 4-(2,5-dimethylphenyl)-3-methyl-4-oxobutanoate 4-(2,5-dimethylphenyl)-3-methyl-4-oxobutanoic acid methyl ester 4-(2,5-dimethylphenyl)-4-keto-3-methyl-butyric acid methyl ester Methyl 4-(2,5-dimethylphenyl)-3-methyl-4-oxidanylidene-butanoate Methyl 3-(2,5-dimethylbenzoyl)butanoate Methyl 4-(2,5-dimethylphenyl)-3-methyl-4-oxo-butanoate
Wiley ID 1730024