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5,6-Dihydroxy-2-methyl-3-benzofurancarboxylic acid ethyl ester
SpectraBase Compound ID G35rk85QDUa
InChI InChI=1S/C12H12O5/c1-3-16-12(15)11-6(2)17-10-5-9(14)8(13)4-7(10)11/h4-5,13-14H,3H2,1-2H3
InChIKey IOVWDJRWMXSWMV-UHFFFAOYSA-N
Mol Weight 236.22 g/mol
Molecular Formula C12H12O5
Exact Mass 236.068473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 36DMUWXe0e
Name 5,6-Dihydroxy-2-methyl-3-benzofurancarboxylic acid ethyl ester
Alternate Name(s) 5,6-Dihydroxy-2-methyl-benzofuran-3-carboxylic acid ethyl ester Ethyl 2-methyl-5,6-bis(oxidanyl)-1-benzofuran-3-carboxylate Ethyl 5,6-dihydroxy-2-methyl-1-benzofuran-3-carboxylate
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Formula C12H12O5
InChI InChI=1S/C12H12O5/c1-3-16-12(15)11-6(2)17-10-5-9(14)8(13)4-7(10)11/h4-5,13-14H,3H2,1-2H3
InChIKey IOVWDJRWMXSWMV-UHFFFAOYSA-N
Molecular Weight 236.223 g/mol
SMILES Oc1c(cc2oc(c(c2c1)C(=O)OCC)C)O
SPLASH splash10-052u-0590000000-8696bd877b6a21a6213e
Source of Spectrum AJ-43-1677-10
Wiley ID 1594401