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Benzenepentanoic acid, .delta.-hydroxy-2-methoxy-.beta.-oxo-, methyl ester
SpectraBase Compound ID FH8myCbgkjY
InChI InChI=1S/C13H16O5/c1-17-12-6-4-3-5-10(12)11(15)7-9(14)8-13(16)18-2/h3-6,11,15H,7-8H2,1-2H3
InChIKey GWIOVPMNUSDYIS-UHFFFAOYSA-N
Mol Weight 252.27 g/mol
Molecular Formula C13H16O5
Exact Mass 252.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HIpc10tVUxi
Name Benzenepentanoic acid, .delta.-hydroxy-2-methoxy-.beta.-oxo-, methyl ester
Alternate Name(s) Methyl 5-hydroxy-5-(2-methoxyphenyl)-3-oxopentanoate
CAS Registry Number 53063-64-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O5
InChI InChI=1S/C13H16O5/c1-17-12-6-4-3-5-10(12)11(15)7-9(14)8-13(16)18-2/h3-6,11,15H,7-8H2,1-2H3
InChIKey GWIOVPMNUSDYIS-UHFFFAOYSA-N
Molecular Weight 252.266 g/mol
SMILES OC(c1c(OC)cccc1)CC(CC(=O)OC)=O
SPLASH splash10-053l-5910000000-a0b94b2cca26018a708f
Source of Spectrum I-52-2161-4
Wiley ID 1255340