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Benzenepentanoic acid, .delta.-hydroxy-.delta.-methyl-.beta.-oxo-, methyl ester
SpectraBase Compound ID DbeM1HJgSZI
InChI InChI=1S/C13H16O4/c1-13(16,10-6-4-3-5-7-10)9-11(14)8-12(15)17-2/h3-7,16H,8-9H2,1-2H3
InChIKey RMGNKGRBYXGQQA-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5aHQin1xEtJ
Name Benzenepentanoic acid, .delta.-hydroxy-.delta.-methyl-.beta.-oxo-, methyl ester
Alternate Name(s) Methyl 5-hydroxy-3-oxo-5-phenylhexanoate
CAS Registry Number 53063-65-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-13(16,10-6-4-3-5-7-10)9-11(14)8-12(15)17-2/h3-7,16H,8-9H2,1-2H3
InChIKey RMGNKGRBYXGQQA-UHFFFAOYSA-N
Molecular Weight 236.267 g/mol
SMILES OC(CC(CC(=O)OC)=O)(c1ccccc1)C
SPLASH splash10-0600-9700000000-d07706e2396cff044268
Source of Spectrum I-52-2162-4
Wiley ID 1238013