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Levulinic acid, 5-phenyl-, ethyl ester
SpectraBase Compound ID Duuv906BNAa
InChI InChI=1S/C13H16O3/c1-2-16-13(15)9-8-12(14)10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3
InChIKey ORGPSJHOOQCAES-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 Agss4y81kfb
Name Levulinic acid, 5-phenyl-, ethyl ester
Alternate Name(s) Ethyl 4-oxo-5-phenylpentanoate 4-keto-5-phenyl-valeric acid ethyl ester 4-Oxo-5-phenylpentanoic acid ethyl ester Ethyl 4-oxidanylidene-5-phenyl-pentanoate
CAS Registry Number 20416-11-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-2-16-13(15)9-8-12(14)10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3
InChIKey ORGPSJHOOQCAES-UHFFFAOYSA-N
Molecular Weight 220.268 g/mol
SMILES CCOC(CCC(Cc1ccccc1)=O)=O
SPLASH splash10-0ufu-3900000000-7097018b0ef63e83956d
Source of Spectrum AH-117-193-0
Wiley ID 1219853