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Methyl 3-methyl-4-oxo-5-phenylpentanoate
SpectraBase Compound ID E0aBVTmKKnE
InChI InChI=1S/C13H16O3/c1-10(8-13(15)16-2)12(14)9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKey HWSGQRRBBAKUMP-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 IBW7ZxcrZXQ
Name Methyl 3-methyl-4-oxo-5-phenylpentanoate
CAS Registry Number 113749-08-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-10(8-13(15)16-2)12(14)9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKey HWSGQRRBBAKUMP-UHFFFAOYSA-N
Molecular Weight 220.268 g/mol
SMILES C(C(CC(=O)OC)C)(Cc1ccccc1)=O
SPLASH splash10-0a6u-9500000000-137910e00b645e8c7502
Source of Spectrum C-110-2584-0
Synonyms 3-Methyl-4-oxo-5-phenylpentanoic acid methyl ester Methyl 3-methyl-4-oxo-5-phenyl-pentanoate Methyl 3-methyl-4-oxidanylidene-5-phenyl-pentanoate
Wiley ID 1219896