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2-(2,2-dimethyl-6-oxocyclohexyl)acetic acid ethyl ester
SpectraBase Compound ID 2DuYz5rw8nb
InChI InChI=1S/C12H20O3/c1-4-15-11(14)8-9-10(13)6-5-7-12(9,2)3/h9H,4-8H2,1-3H3
InChIKey QKRKDBMSRYPICS-UHFFFAOYSA-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 OIzvX6UdVb
Name 2-(2,2-dimethyl-6-oxocyclohexyl)acetic acid ethyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C12H20O3
InChI InChI=1S/C12H20O3/c1-4-15-11(14)8-9-10(13)6-5-7-12(9,2)3/h9H,4-8H2,1-3H3
InChIKey QKRKDBMSRYPICS-UHFFFAOYSA-N
Molecular Weight 212.289 g/mol
SMILES C1(C(CCCC1=O)(C)C)CC(=O)OCC
SPLASH splash10-0006-9000000000-7159dae22c5c47f7f790
Source of Spectrum SK-23-871-7
Synonyms 2-(6-keto-2,2-dimethyl-cyclohexyl)acetic acid ethyl ester ethyl 2-(2,2-dimethyl-6-oxidanylidene-cyclohexyl)ethanoate ethyl 2-(2,2-dimethyl-6-oxo-cyclohexyl)acetate
Wiley ID 865562