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2-(4-Oxocyclohexylmethyl)-malonic acid, diethyl ester
SpectraBase Compound ID vCeKxjy6Or
InChI InChI=1S/C14H22O5/c1-3-18-13(16)12(14(17)19-4-2)9-10-5-7-11(15)8-6-10/h10,12H,3-9H2,1-2H3
InChIKey GGBGBCDUAGIBPG-UHFFFAOYSA-N
Mol Weight 270.32 g/mol
Molecular Formula C14H22O5
Exact Mass 270.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IwiAvNy0S5P
Name 2-(4-Oxocyclohexylmethyl)-malonic acid, diethyl ester
Alternate Name(s) 2-[(4-ketocyclohexyl)methyl]malonic acid diethyl ester 2-[(4-oxocyclohexyl)methyl]propanedioic acid diethyl ester Diethyl 2-[(4-oxidanylidenecyclohexyl)methyl]propanedioate Diethyl 2-[(4-oxocyclohexyl)methyl]malonate Diethyl 2-[(4-oxocyclohexyl)methyl]propanedioate
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Formula C14H22O5
InChI InChI=1S/C14H22O5/c1-3-18-13(16)12(14(17)19-4-2)9-10-5-7-11(15)8-6-10/h10,12H,3-9H2,1-2H3
InChIKey GGBGBCDUAGIBPG-UHFFFAOYSA-N
Molecular Weight 270.325 g/mol
SMILES C(=O)(C(CC1CCC(=O)CC1)C(=O)OCC)OCC
SPLASH splash10-056s-9500000000-01a0feba22f3d0d9d85c
Wiley ID 1482218