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2-[(1R)-3-ketocyclohexyl]malonic acid dimethyl ester
SpectraBase Compound ID 53b4oj7Z6T9
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/t7-/m1/s1
InChIKey XRRVFMYYAGGSJO-SSDOTTSWSA-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 FN4JFbA2UJC
Name 2-[(1R)-3-ketocyclohexyl]malonic acid dimethyl ester
Alternate Name(s) 2-[(1R)-3-oxocyclohexyl]propanedioic acid dimethyl ester Dimethyl 2-[(1R)-3-oxidanylidenecyclohexyl]propanedioate Dimethyl 2-[(1R)-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/t7-/m1/s1
InChIKey XRRVFMYYAGGSJO-SSDOTTSWSA-N
Molecular Weight 228.244 g/mol
SMILES C([C@]1(CC(=O)CCC1)[H])(C(=O)OC)C(=O)OC
SPLASH splash10-00ke-9400000000-ae5db34c241bbdf128e2
Source of Spectrum QC-17-996-5
Wiley ID 1638239