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Methyl 3-oxo-2-(1-phenylethyl)butanoate
SpectraBase Compound ID LLFH8EjALMD
InChI InChI=1S/C13H16O3/c1-9(11-7-5-4-6-8-11)12(10(2)14)13(15)16-3/h4-9,12H,1-3H3
InChIKey GGUPIFRGBMTYGO-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 38qUienV2G
Name Methyl 3-oxo-2-(1-phenylethyl)butanoate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-9(11-7-5-4-6-8-11)12(10(2)14)13(15)16-3/h4-9,12H,1-3H3
InChIKey GGUPIFRGBMTYGO-UHFFFAOYSA-N
Literature Reference DOI 10.1002/aoc.1320
Molecular Weight 220.268 g/mol
SMILES C(C(C(C)=O)C(C)c1ccccc1)(=O)OC
SPLASH splash10-0pba-0920000000-25754cb68a3b72398b82
Source of Spectrum AOC-21-961-3b
Synonyms Methyl 2-acetyl-3-phenylbutanoate 2-Acetyl-3-phenylbutanoic acid methyl ester Methyl 2-acetyl-3-phenyl-butanoate Methyl 2-ethanoyl-3-phenyl-butanoate
Wiley ID 1770034