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4-(3,6-diketo-4,5-dimethoxy-2-methyl-cyclohexa-1,4-dien-1-yl)cyclohexanecarboxylic acid methyl ester
SpectraBase Compound ID 9oU77t7oKzq
InChI InChI=1S/C17H22O6/c1-9-12(10-5-7-11(8-6-10)17(20)23-4)14(19)16(22-3)15(21-2)13(9)18/h10-11H,5-8H2,1-4H3
InChIKey DTYQJZCOEOWTJK-UHFFFAOYSA-N
Mol Weight 322.36 g/mol
Molecular Formula C17H22O6
Exact Mass 322.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3xYdQjU2Hhi
Name 4-(3,6-diketo-4,5-dimethoxy-2-methyl-cyclohexa-1,4-dien-1-yl)cyclohexanecarboxylic acid methyl ester
Alternate Name(s) 4-(4,5-dimethoxy-2-methyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)-1-cyclohexanecarboxylic acid methyl ester methyl 4-(4,5-dimethoxy-2-methyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)cyclohexanecarboxylate methyl 4-(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)cyclohexane-1-carboxylate methyl 4-[4,5-dimethoxy-2-methyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]cyclohexane-1-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C17H22O6
InChI InChI=1S/C17H22O6/c1-9-12(10-5-7-11(8-6-10)17(20)23-4)14(19)16(22-3)15(21-2)13(9)18/h10-11H,5-8H2,1-4H3
InChIKey DTYQJZCOEOWTJK-UHFFFAOYSA-N
Molecular Weight 322.357 g/mol
SMILES C1(=C(C(=O)C(=C(C1=O)C1CCC(C(=O)OC)CC1)C)OC)OC
SPLASH splash10-001i-0049000000-aa10e92d9cad28da2bec
Source of Spectrum J-62-8674-15
Wiley ID 1321608