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2-(4-keto-2-furyl)acetic acid methyl ester
SpectraBase Compound ID JWhQgAruxVO
InChI InChI=1S/C7H8O4/c1-10-7(9)3-6-2-5(8)4-11-6/h2H,3-4H2,1H3
InChIKey JKBDMSSOTXPZMK-UHFFFAOYSA-N
Mol Weight 156.14 g/mol
Molecular Formula C7H8O4
Exact Mass 156.042259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DgAoLDlF3N2
Name 2-(4-keto-2-furyl)acetic acid methyl ester
Alternate Name(s) 2-(4-oxo-2-furanyl)acetic acid methyl ester methyl 2-(4-oxidanylidenefuran-2-yl)ethanoate methyl 2-(4-oxo-2-furyl)acetate methyl 2-(4-oxofuran-2-yl)acetate
Comments Less than 3 mono-isotopic peaks
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Formula C7H8O4
InChI InChI=1S/C7H8O4/c1-10-7(9)3-6-2-5(8)4-11-6/h2H,3-4H2,1H3
InChIKey JKBDMSSOTXPZMK-UHFFFAOYSA-N
Molecular Weight 156.137 g/mol
SMILES C1(=CC(=O)CO1)CC(=O)OC
SPLASH splash10-0a4i-0900000000-86ab6a5b0cdc46ec6b88
Source of Spectrum QE-7-1724-6
Wiley ID 845551