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(+)-(1R)-2,2-Dimethyl-3-oxocyclohexane-1-ethyl acetate
SpectraBase Compound ID JKy2X4UA1gl
InChI InChI=1S/C12H20O3/c1-4-15-11(14)8-9-6-5-7-10(13)12(9,2)3/h9H,4-8H2,1-3H3/t9-/m0/s1
InChIKey GRIGNONJAOCUMB-VIFPVBQESA-N
Mol Weight 212.29 g/mol
Molecular Formula C12H20O3
Exact Mass 212.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F6UvwjrJPHB
Name (+)-(1R)-2,2-Dimethyl-3-oxocyclohexane-1-ethyl acetate
Alternate Name(s) Ethyl[(1S)-2,2-dimethyl-3-oxocyclohexyl]acetate
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Formula C12H20O3
InChI InChI=1S/C12H20O3/c1-4-15-11(14)8-9-6-5-7-10(13)12(9,2)3/h9H,4-8H2,1-3H3/t9-/m0/s1
InChIKey GRIGNONJAOCUMB-VIFPVBQESA-N
Molecular Weight 212.289 g/mol
SMILES C1([C@](CC(=O)OCC)(CCCC1=O)[H])(C)C
SPLASH splash10-0a5c-9400000000-615396d6f8d8fdb785f5
Source of Spectrum H-75-1544-0
Wiley ID 1211577