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2-(1,3-Benzodioxol-5-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylic acid bis(2-methoxyethyl) ester
SpectraBase Compound ID Jq1yJvQjFXX
InChI InChI=1S/C22H28O10/c1-22(26)11-14(23)18(20(24)29-8-6-27-2)17(19(22)21(25)30-9-7-28-3)13-4-5-15-16(10-13)32-12-31-15/h4-5,10,17-19,26H,6-9,11-12H2,1-3H3
InChIKey CWUBYUVPEPMVTM-UHFFFAOYSA-N
Mol Weight 452.46 g/mol
Molecular Formula C22H28O10
Exact Mass 452.168247 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D1nDbpIQETY
Name 2-(1,3-benzodioxol-5-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylic acid bis(2-methoxyethyl) ester
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Formula C22H28O10
InChI InChI=1S/C22H28O10/c1-22(26)11-14(23)18(20(24)29-8-6-27-2)17(19(22)21(25)30-9-7-28-3)13-4-5-15-16(10-13)32-12-31-15/h4-5,10,17-19,26H,6-9,11-12H2,1-3H3
InChIKey CWUBYUVPEPMVTM-UHFFFAOYSA-N
Molecular Weight 452.456 g/mol
SMILES OC1(CC(C(C(C1C(OCCOC)=O)c1ccc2c(c1)OCO2)C(OCCOC)=O)=O)C
SPLASH splash10-0a4i-9560000000-68cdc6b44db16063d8cf
Synonyms 2-(1,3-benzodioxol-5-yl)-4-hydroxy-6-keto-4-methyl-cyclohexane-1,3-dicarboxylic acid bis(2-methoxyethyl) ester bis(2-methoxyethyl) 2-(1,3-benzodioxol-5-yl)-4-hydroxy-4-methyl-6-oxo-cyclohexane-1,3-dicarboxylate bis(2-methoxyethyl) 2-(1,3-benzodioxol-5-yl)-4-methyl-4-oxidanyl-6-oxidanylidene-cyclohexane-1,3-dicarboxylate
Wiley ID 1512298