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2-(3-ketocyclohexyl)malonic acid dimethyl ester
SpectraBase Compound ID L6b5cj1eaz
InChI InChI=1S/C11H16O5/c1-15-10(13)9(11(14)16-2)7-4-3-5-8(12)6-7/h7,9H,3-6H2,1-2H3
InChIKey XRRVFMYYAGGSJO-UHFFFAOYSA-N
Mol Weight 228.24 g/mol
Molecular Formula C11H16O5
Exact Mass 228.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 12CQd5eFsvS
Name 3-[bis(Methoxycarbonyl)methyl]-cyclohexan-1-one
Alternate Name(s) 2-(3-ketocyclohexyl)malonic acid dimethyl ester 2-(3-oxocyclohexyl)propanedioic acid dimethyl ester Dimethyl 2-(3-oxidanylidenecyclohexyl)propanedioate Dimethyl 2-(3-oxocyclohexyl)propanedioate
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Formula C11H16O5
InChI InChI=1S/C11H16O5/c1-15-10(13)9(11(14)16-2)7-4-3-5-8(12)6-7/h7,9H,3-6H2,1-2H3
InChIKey XRRVFMYYAGGSJO-UHFFFAOYSA-N
Molecular Weight 228.244 g/mol
SMILES C(C1CC(=O)CCC1)(C(=O)OC)C(=O)OC
SPLASH splash10-0002-9350000000-a9f8a47f3090908d9a8f
Source of Spectrum C-117-6196-7
Wiley ID 1697882