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

*Links on SpectraBase are not permalinks.
Tert-butyl 3-oxo-3-phenylpropanoate
SpectraBase Compound ID 3q3DN8VUHcS
InChI InChI=1S/C13H16O3/c1-13(2,3)16-12(15)9-11(14)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKey PRTKMICNYGEWGB-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 IQA5XjwY451
Name tert-Butyl 3-oxo-3-phenylpropanoate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-13(2,3)16-12(15)9-11(14)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKey PRTKMICNYGEWGB-UHFFFAOYSA-N
Literature Reference DOI 10.1039/c4cc01631a
Molecular Weight 220.268 g/mol
SMILES c1cc(ccc1)C(CC(OC(C)(C)C)=O)=O
SPLASH splash10-0a4i-6900000000-eab7ca229cf461810df1
Source of Spectrum KD-50-7870/SMS16-14
Synonyms 3-Oxo-3-phenylpropanoic acid tert-butyl ester tert-Butyl 3-oxo-3-phenyl-propanoate tert-Butyl 3-oxidanylidene-3-phenyl-propanoate
Wiley ID 1754581