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(1S,2R)-2-(2-oxopropyl)-1-cyclohexanecarboxylic acid methyl ester
SpectraBase Compound ID DopiivQqDPI
InChI InChI=1S/C11H18O3/c1-8(12)7-9-5-3-4-6-10(9)11(13)14-2/h9-10H,3-7H2,1-2H3/t9-,10+/m1/s1
InChIKey IARWECNBLFVIBI-ZJUUUORDSA-N
Mol Weight 198.26 g/mol
Molecular Formula C11H18O3
Exact Mass 198.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GaM3l79TdYI
Name (1S,2R)-2-(2-oxopropyl)-1-cyclohexanecarboxylic acid methyl ester
Alternate Name(s) (1S,2R)-2-acetonylcyclohexanecarboxylic acid methyl ester Methyl (1S,2R)-2-(2-oxidanylidenepropyl)cyclohexane-1-carboxylate Methyl (1S,2R)-2-(2-oxopropyl)cyclohexane-1-carboxylate Methyl (1S,2R)-2-acetonylcyclohexanecarboxylate
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Formula C11H18O3
InChI InChI=1S/C11H18O3/c1-8(12)7-9-5-3-4-6-10(9)11(13)14-2/h9-10H,3-7H2,1-2H3/t9-,10+/m1/s1
InChIKey IARWECNBLFVIBI-ZJUUUORDSA-N
Molecular Weight 198.262 g/mol
SMILES C([C@@]1([C@@](CC(=O)C)(CCCC1)[H])[H])(=O)OC
SPLASH splash10-0006-9700000000-9e76f9f414a3760dac17
Source of Spectrum K-126-1938-5
Wiley ID 1195579