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2-(4-Methoxyphenyl)-2-oxoacetic acid butyl ester
SpectraBase Compound ID CBEipwcninR
InChI InChI=1S/C13H16O4/c1-3-4-9-17-13(15)12(14)10-5-7-11(16-2)8-6-10/h5-8H,3-4,9H2,1-2H3
InChIKey INBFJBCFDMALSJ-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 9kgEBrnOQ19
Name 2-(4-Methoxyphenyl)-2-oxoacetic acid butyl ester
Alternate Name(s) 2-keto-2-(4-methoxyphenyl)acetic acid butyl ester Butyl 2-(4-methoxyphenyl)-2-oxidanylidene-ethanoate Butyl 2-(4-methoxyphenyl)-2-oxo-acetate
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Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-3-4-9-17-13(15)12(14)10-5-7-11(16-2)8-6-10/h5-8H,3-4,9H2,1-2H3
InChIKey INBFJBCFDMALSJ-UHFFFAOYSA-N
Molecular Weight 236.267 g/mol
SMILES C(C(=O)c1ccc(cc1)OC)(=O)OCCCC
SPLASH splash10-000i-3900000000-85fac768a10472fc7073
Source of Spectrum G4-64-1557-2
Wiley ID 1609334