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Benzenepentanoic acid, .gamma.-methyl-.beta.-oxo-, methyl ester
SpectraBase Compound ID EV8AAi0muX7
InChI InChI=1S/C13H16O3/c1-10(12(14)9-13(15)16-2)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKey OZXIAQOYGHGJEY-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 JTESoTvpdS5
Name Benzenepentanoic acid, .gamma.-methyl-.beta.-oxo-, methyl ester
CAS Registry Number 30414-61-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-10(12(14)9-13(15)16-2)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKey OZXIAQOYGHGJEY-UHFFFAOYSA-N
Molecular Weight 220.268 g/mol
SMILES CC(Cc1ccccc1)C(CC(=O)OC)=O
SPLASH splash10-0006-9500000000-88de425b966062e1b2e2
Source of Spectrum I-50-2708-110
Synonyms Methyl 4-methyl-3-oxo-5-phenylpentanoate 3-keto-4-methyl-5-phenyl-valeric acid methyl ester 4-Methyl-3-oxo-5-phenylpentanoic acid methyl ester Methyl 4-methyl-3-oxidanylidene-5-phenyl-pentanoate Valeric acid, 4-methyl-3-oxo-5-phenyl-, methyl ester
Wiley ID 1219850