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METHYL-5-OXO-5-PHENYLPENTANOATE
SpectraBase Compound ID s4jQVdJ6lQ
InChI InChI=1S/C12H14O3/c1-15-12(14)9-5-8-11(13)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
InChIKey GRIWFUFDJOESIC-UHFFFAOYSA-N
Mol Weight 206.24 g/mol
Molecular Formula C12H14O3
Exact Mass 206.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9tANcAuLSBi
Name Methyl 4-benzoylbutyrate
Alternate Name(s) Methyl 5-oxo-5-phenylpentanoate 5-keto-5-phenyl-valeric acid methyl ester 5-Oxo-5-phenylpentanoic acid methyl ester Benzenepentanoic acid, .delta.-oxo-, methyl ester Methyl 5-oxo-5-phenyl-pentanoate Methyl 5-oxidanylidene-5-phenyl-pentanoate
CAS Registry Number 1501-04-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O3
InChI InChI=1S/C12H14O3/c1-15-12(14)9-5-8-11(13)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
InChIKey GRIWFUFDJOESIC-UHFFFAOYSA-N
Molecular Weight 206.241 g/mol
SMILES C(=O)(OC)CCCC(=O)c1ccccc1
SPLASH splash10-0a4i-5900000000-d3fdac2ebfbefc20faef
Wiley ID 1474266