Pentanoic acid, 4-oxo-, phenylmethyl ester

Formula: C₁₂H₁₄O₃
Molecular weight: 206.2378
IUPAC Standard InChI: InChI=1S/C12H14O3/c1-10(13)7-8-12(14)15-9-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3
IUPAC Standard InChIKey: KWQUVANYFZOCEA-UHFFFAOYSA-N
CAS Registry Number: 6939-75-9
Chemical structure:
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Other names: Benzyl levulinate; benzyl 4-oxovalerate
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Gas Chromatography

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax	2526.	Shu and Lawrence, 1995	30. m/0.32 mm/0.25 μm, 6. K/min; T_start: 50. C; T_end: 190. C

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Shu and Lawrence, 1995
Shu, C.-K.; Lawrence, B.M., Formation of 4-alkoxy-γ-valerolactones from levulinic acid and alcohols during storage at room temperature, J. Agric. Food Chem., 1995, 43, 3, 782-784, https://doi.org/10.1021/jf00051a041 . [all data]

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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