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3-Oxo-5-phenylpentanoic acid, ethyl ester

View entire compound with spectra: 2 MS (GC)

3-Oxo-5-phenylpentanoic acid, ethyl ester
SpectraBase Compound ID KZLQYJMyWeR
InChI InChI=1S/C13H16O3/c1-2-16-13(15)10-12(14)9-8-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3
InChIKey PRDJGEFZGPKCSG-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 97GvvH0uNXS
Name 3-Oxo-5-phenylpentanoic acid, ethyl ester
Alternate Name(s) 3-keto-5-phenyl-valeric acid ethyl ester Ethyl 3-oxidanylidene-5-phenyl-pentanoate Ethyl 3-oxo-5-phenyl-pentanoate 3-Oxo-5-phenylpentanoic acid ethyl ester
CAS Registry Number 17071-29-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-2-16-13(15)10-12(14)9-8-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3
InChIKey PRDJGEFZGPKCSG-UHFFFAOYSA-N
Molecular Weight 220.268 g/mol
SMILES c1cc(ccc1)CCC(=O)CC(=O)OCC
SPLASH splash10-0f9x-9700000000-64382620d21eeea3c005
Wiley ID 1474588