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3-(4-formyl-1,7-dimethoxy-1,7-dioxoheptan-4-yl)-4-methylcyclopent-3-ene-1,1-dicarboxylic acid dimethyl ester
SpectraBase Compound ID 4TbfJ5Y7bqF
InChI InChI=1S/C20H28O9/c1-13-10-20(17(24)28-4,18(25)29-5)11-14(13)19(12-21,8-6-15(22)26-2)9-7-16(23)27-3/h12H,6-11H2,1-5H3
InChIKey DQDHXCAIEINJDI-UHFFFAOYSA-N
Mol Weight 412.44 g/mol
Molecular Formula C20H28O9
Exact Mass 412.173332 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9XfHnuA35jo
Name 3-(4-formyl-1,7-dimethoxy-1,7-dioxoheptan-4-yl)-4-methylcyclopent-3-ene-1,1-dicarboxylic acid dimethyl ester
Alternate Name(s) 3-[1-formyl-4-keto-1-(3-keto-3-methoxy-propyl)-4-methoxy-butyl]-4-methyl-cyclopent-3-ene-1,1-dicarboxylic acid dimethyl ester Dimethyl 3-(4-formyl-1,7-dimethoxy-1,7-dioxoheptan-4-yl)-4-methylcyclopent-3-ene-1,1-dicarboxylate Dimethyl 3-[1-formyl-4-methoxy-1-(3-methoxy-3-oxo-propyl)-4-oxo-butyl]-4-methyl-cyclopent-3-ene-1,1-dicarboxylate Dimethyl 3-[4-methanoyl-1,7-dimethoxy-1,7-bis(oxidanylidene)heptan-4-yl]-4-methyl-cyclopent-3-ene-1,1-dicarboxylate
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Formula C20H28O9
InChI InChI=1S/C20H28O9/c1-13-10-20(17(24)28-4,18(25)29-5)11-14(13)19(12-21,8-6-15(22)26-2)9-7-16(23)27-3/h12H,6-11H2,1-5H3
InChIKey DQDHXCAIEINJDI-UHFFFAOYSA-N
Molecular Weight 412.435 g/mol
SMILES C1(CC(C(CCC(=O)OC)(CCC(=O)OC)C=O)=C(C1)C)(C(=O)OC)C(=O)OC
SPLASH splash10-0006-0293000000-ee7d4bc4371994b466e0
Source of Spectrum U1-1999-1339-34
Wiley ID 753013