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3-[bis(Ethoxycarbonyl)methyl]-cyclohexan-1-one
SpectraBase Compound ID FV00oX6VW3O
InChI InChI=1S/C13H20O5/c1-3-17-12(15)11(13(16)18-4-2)9-6-5-7-10(14)8-9/h9,11H,3-8H2,1-2H3
InChIKey IKOAYBMYVQZXPV-UHFFFAOYSA-N
Mol Weight 256.3 g/mol
Molecular Formula C13H20O5
Exact Mass 256.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5d9E99dlzWH
Name 3-[bis(Ethoxycarbonyl)methyl]-cyclohexan-1-one
Alternate Name(s) 2-(3-oxocyclohexyl)propanedioic acid diethyl ester Diethyl 2-(3-oxocyclohexyl)propanedioate Diethyl 2-(3-oxidanylidenecyclohexyl)propanedioate
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Formula C13H20O5
InChI InChI=1S/C13H20O5/c1-3-17-12(15)11(13(16)18-4-2)9-6-5-7-10(14)8-9/h9,11H,3-8H2,1-2H3
InChIKey IKOAYBMYVQZXPV-UHFFFAOYSA-N
Molecular Weight 256.298 g/mol
SMILES C(C1CC(=O)CCC1)(C(=O)OCC)C(=O)OCC
SPLASH splash10-01ot-9070000000-88ec264922ad27f2a900
Source of Spectrum C-117-6197-9
Wiley ID 1697881