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3-keto-4-methoxy-2-(2-methoxyphenyl)butyric acid methyl ester
SpectraBase Compound ID CI8FqBll8Cy
InChI InChI=1S/C13H16O5/c1-16-8-10(14)12(13(15)18-3)9-6-4-5-7-11(9)17-2/h4-7,12H,8H2,1-3H3
InChIKey KPQGWMWOJGMEGO-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 GVRVVcAhfmF
Name 3-keto-4-methoxy-2-(2-methoxyphenyl)butyric acid methyl ester
Alternate Name(s) 4-Methoxy-2-(2-methoxyphenyl)-3-oxobutanoic acid methyl ester Methyl 4-methoxy-2-(2-methoxyphenyl)-3-oxidanylidene-butanoate Methyl 4-methoxy-2-(2-methoxyphenyl)-3-oxo-butanoate
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Formula C13H16O5
InChI InChI=1S/C13H16O5/c1-16-8-10(14)12(13(15)18-3)9-6-4-5-7-11(9)17-2/h4-7,12H,8H2,1-3H3
InChIKey KPQGWMWOJGMEGO-UHFFFAOYSA-N
Molecular Weight 252.266 g/mol
SMILES C(c1c(OC)cccc1)(C(=O)OC)C(=O)COC
SPLASH splash10-0002-2920000000-cf035a33917b3961547b
Source of Spectrum ES-2005-3472-3
Wiley ID 1563547