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Benzenebutanoic acid, 3,4-dimethoxy-.gamma.-oxo-
SpectraBase Compound ID 90d5EK65dWt
InChI InChI=1S/C12H14O5/c1-16-10-5-3-8(7-11(10)17-2)9(13)4-6-12(14)15/h3,5,7H,4,6H2,1-2H3,(H,14,15)
InChIKey BUAYFJKMVBIPKA-UHFFFAOYSA-N
Mol Weight 238.24 g/mol
Molecular Formula C12H14O5
Exact Mass 238.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1E5Yvsu4RBk
Name Benzenebutanoic acid, 3,4-dimethoxy-.gamma.-oxo-
Alternate Name(s) 4-(3,4-dimethoxyphenyl)-4-oxobutanoic acid 4-(3,4-dimethoxyphenyl)-4-oxo-butanoic acid 4-(3,4-dimethoxyphenyl)-4-oxidanylidene-butanoic acid
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Formula C12H14O5
InChI InChI=1S/C12H14O5/c1-16-10-5-3-8(7-11(10)17-2)9(13)4-6-12(14)15/h3,5,7H,4,6H2,1-2H3,(H,14,15)
InChIKey BUAYFJKMVBIPKA-UHFFFAOYSA-N
Molecular Weight 238.239 g/mol
SMILES OC(CCC(c1ccc(OC)c(c1)OC)=O)=O
SPLASH splash10-014i-3920000000-ff13a072a4952a25ec1c
Source of Spectrum JX-2015-1-155
Wiley ID 1721010