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3-(2-Methoxy-5-ethyl)-3-keto butyric acid
SpectraBase Compound ID IUg2eOWvnzR
InChI InChI=1S/C13H16O4/c1-3-9-4-5-12(17-2)10(6-9)7-11(14)8-13(15)16/h4-6H,3,7-8H2,1-2H3,(H,15,16)
InChIKey XKXNIZYBMGKERK-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 BScIerbLZQS
Name 3-(2-Methoxy-5-ethyl)-3-keto butyric acid
Alternate Name(s) 4-(2-Methoxy-5-ethyl-phenyl)-3-keto butyric acid 4-(5-Ethyl-2-methoxyphenyl)-3-oxobutanoic acid
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Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-3-9-4-5-12(17-2)10(6-9)7-11(14)8-13(15)16/h4-6H,3,7-8H2,1-2H3,(H,15,16)
InChIKey XKXNIZYBMGKERK-UHFFFAOYSA-N
Molecular Weight 236.267 g/mol
SMILES OC(CC(Cc1c(ccc(c1)CC)OC)=O)=O
SPLASH splash10-03di-2900000000-6765ce62b6c57734dee9
Source of Spectrum JX-2015-6-9988
Wiley ID 1730509