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Cyclohexane-1,1-dicarboxylic acid, 2-benzo[1,3]dioxol-5-yl-4-oxo-, dimethyl ester
SpectraBase Compound ID K0JeV7NIngS
InChI InChI=1S/C17H18O7/c1-21-15(19)17(16(20)22-2)6-5-11(18)8-12(17)10-3-4-13-14(7-10)24-9-23-13/h3-4,7,12H,5-6,8-9H2,1-2H3
InChIKey TYKPXWCTSBHOLX-UHFFFAOYSA-N
Mol Weight 334.32 g/mol
Molecular Formula C17H18O7
Exact Mass 334.105253 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ZLvlMO1JUJ
Name Cyclohexane-1,1-dicarboxylic acid, 2-benzo[1,3]dioxol-5-yl-4-oxo-, dimethyl ester
Alternate Name(s) 2-(1,3-benzodioxol-5-yl)-4-keto-cyclohexane-1,1-dicarboxylic acid dimethyl ester 2-(1,3-benzodioxol-5-yl)-4-oxocyclohexane-1,1-dicarboxylic acid dimethyl ester Dimethyl 2-(1,3-benzodioxol-5-yl)-4-oxidanylidene-cyclohexane-1,1-dicarboxylate Dimethyl 2-(1,3-benzodioxol-5-yl)-4-oxo-cyclohexane-1,1-dicarboxylate
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Formula C17H18O7
InChI InChI=1S/C17H18O7/c1-21-15(19)17(16(20)22-2)6-5-11(18)8-12(17)10-3-4-13-14(7-10)24-9-23-13/h3-4,7,12H,5-6,8-9H2,1-2H3
InChIKey TYKPXWCTSBHOLX-UHFFFAOYSA-N
Molecular Weight 334.324 g/mol
SMILES C1(C(c2cc3OCOc3cc2)CC(CC1)=O)(C(=O)OC)C(=O)OC
SPLASH splash10-0002-5900000000-187ed8359453adf9713b
Wiley ID 1446129