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4-Oxo-4-p-tolylbutanoic acid, ethyl ester
SpectraBase Compound ID pFtRxTE3ky
InChI InChI=1S/C13H16O3/c1-3-16-13(15)9-8-12(14)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3
InChIKey LFHSFGIXTQENJM-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 9wyVdIyp1GS
Name 4-Oxo-4-p-tolylbutanoic acid, ethyl ester
CAS Registry Number 6942-61-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-3-16-13(15)9-8-12(14)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3
InChIKey LFHSFGIXTQENJM-UHFFFAOYSA-N
Molecular Weight 220.268 g/mol
SMILES Cc1ccc(C(=O)CCC(OCC)=O)cc1
SPLASH splash10-014i-5900000000-2cb5944607b36ac1f383
Synonyms 4-(4-Methylphenyl)-4-oxobutanoic acid ethyl ester 4-keto-4-(p-tolyl)butyric acid ethyl ester Ethyl 4-(4-methylphenyl)-4-oxidanylidene-butanoate Ethyl 4-(4-methylphenyl)-4-oxobutanoate Ethyl 4-oxo-4-(p-tolyl)butanoate
Wiley ID 1474644