For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
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)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 89n7QcYDrAa
Name Methyl 3-oxo-2-(1-phenylethyl)butanoate
Copyright Copyright © 2020-2024 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/asia.200700055
Molecular Weight 220.268 g/mol
SMILES c1(ccccc1)C(C(C(OC)=O)C(=O)C)C
SPLASH splash10-0zi1-0930000000-e8dd69ff13d2b3647ba0
Source of Spectrum CAJ-2-913-3g
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 1774562