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1,9-Bis(1-ethoxycarbonyl-2-oxocyclopentyl)-3,7-nonadione
SpectraBase Compound ID XRyXlUOtOU
InChI InChI=1S/C25H36O8/c1-3-32-22(30)24(14-6-10-20(24)28)16-12-18(26)8-5-9-19(27)13-17-25(23(31)33-4-2)15-7-11-21(25)29/h3-17H2,1-2H3
InChIKey YZNXSKLWRDHNAW-UHFFFAOYSA-N
Mol Weight 464.6 g/mol
Molecular Formula C25H36O8
Exact Mass 464.241018 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AXK6OS2MyBX
Name 1,9-Bis(1-ethoxycarbonyl-2-oxocyclopentyl)-3,7-nonadione
Alternate Name(s) Diethyl 1,1'-(3,7-dioxononane-1,9-diyl)bis(2-oxocyclopentanecarboxylate) 1-[9-(1-ethoxycarbonyl-2-oxocyclopentyl)-3,7-dioxononyl]-2-oxo-1-cyclopentanecarboxylic acid ethyl ester Ethyl 1-[9-(1-ethoxycarbonyl-2-oxocyclopentyl)-3,7-dioxononyl]-2-oxocyclopentane-1-carboxylate Ethyl 1-[9-(1-ethoxycarbonyl-2-oxo-cyclopentyl)-3,7-dioxo-nonyl]-2-oxo-cyclopentanecarboxylate Ethyl 1-[9-(1-ethoxycarbonyl-2-oxidanylidene-cyclopentyl)-3,7-bis(oxidanylidene)nonyl]-2-oxidanylidene-cyclopentane-1-carboxylate
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Formula C25H36O8
InChI InChI=1S/C25H36O8/c1-3-32-22(30)24(14-6-10-20(24)28)16-12-18(26)8-5-9-19(27)13-17-25(23(31)33-4-2)15-7-11-21(25)29/h3-17H2,1-2H3
InChIKey YZNXSKLWRDHNAW-UHFFFAOYSA-N
Literature Reference DOI 10.1002_1521-3897(200006)342_6_546
Molecular Weight 464.555 g/mol
SMILES C(C1(C(=O)OCC)CCCC1=O)CC(=O)CCCC(CCC1(CCCC1=O)C(=O)OCC)=O
SPLASH splash10-08g1-4950100000-039ac664dceb12495dd0
Source of Spectrum JF-342-552-3m
Wiley ID 1767025