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3-[2-(hydroxymethyl)-4-(2-methoxy-2-oxoethyl)-3-furanyl]propanoic acid methyl ester
SpectraBase Compound ID 9KAkbevcraL
InChI InChI=1S/C12H16O6/c1-16-11(14)4-3-9-8(5-12(15)17-2)7-18-10(9)6-13/h7,13H,3-6H2,1-2H3
InChIKey KPSRVUISCJQEFL-UHFFFAOYSA-N
Mol Weight 256.25 g/mol
Molecular Formula C12H16O6
Exact Mass 256.094688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AGNuTtBXQLF
Name 3-[2-(hydroxymethyl)-4-(2-methoxy-2-oxoethyl)-3-furanyl]propanoic acid methyl ester
Alternate Name(s) 3-[4-(2-keto-2-methoxy-ethyl)-2-methylol-3-furyl]propionic acid methyl ester Methyl 3-[2-(hydroxymethyl)-4-(2-methoxy-2-oxidanylidene-ethyl)furan-3-yl]propanoate Methyl 3-[2-(hydroxymethyl)-4-(2-methoxy-2-oxo-ethyl)-3-furyl]propanoate Methyl 3-[2-(hydroxymethyl)-4-(2-methoxy-2-oxoethyl)furan-3-yl]propanoate
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Formula C12H16O6
InChI InChI=1S/C12H16O6/c1-16-11(14)4-3-9-8(5-12(15)17-2)7-18-10(9)6-13/h7,13H,3-6H2,1-2H3
InChIKey KPSRVUISCJQEFL-UHFFFAOYSA-N
Molecular Weight 256.254 g/mol
SMILES OCc1c(c(co1)CC(=O)OC)CCC(=O)OC
SPLASH splash10-00ov-4900000000-1863f0fdb8e959906175
Source of Spectrum F-49-8207-28
Wiley ID 788231