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Methyl 1,3,3-trimethyl-2-(2-oxoethyl)-4-oxocyclohexan-1-carboxylate
SpectraBase Compound ID As9Cvwv4y1g
InChI InChI=1S/C13H20O4/c1-12(2)9(6-8-14)13(3,11(16)17-4)7-5-10(12)15/h8-9H,5-7H2,1-4H3/t9-,13+/m1/s1
InChIKey VTSCEPJXFYEGHL-RNCFNFMXSA-N
Mol Weight 240.3 g/mol
Molecular Formula C13H20O4
Exact Mass 240.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 58fM2TeFz3g
Name Methyl 1,3,3-trimethyl-2-(2-oxoethyl)-4-oxocyclohexan-1-carboxylate
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Formula C13H20O4
InChI InChI=1S/C13H20O4/c1-12(2)9(6-8-14)13(3,11(16)17-4)7-5-10(12)15/h8-9H,5-7H2,1-4H3/t9-,13+/m1/s1
InChIKey VTSCEPJXFYEGHL-RNCFNFMXSA-N
Molecular Weight 240.299 g/mol
SMILES [C@@]1([C@@](C(C)(C)C(CC1)=O)(CC=O)[H])(C(=O)OC)C
SPLASH splash10-01ox-2900000000-b7c0e9c9f735bb3fe0d7
Source of Spectrum F-52-12452-12
Synonyms (1S,2R)-Methyl 1,3,3-trimethyl-2-(2-oxoethyl)-4-oxocyclohexan-1-carboxylate Methyl 1,3,3-trimethyl-4-oxo-2-(2-oxoethyl)cyclohexanecarboxylate (1S,2R)-1,3,3-trimethyl-4-oxo-2-(2-oxoethyl)-1-cyclohexanecarboxylic acid methyl ester Methyl (1S,2R)-1,3,3-trimethyl-4-oxo-2-(2-oxoethyl)cyclohexane-1-carboxylate Methyl (1S,2R)-1,3,3-trimethyl-4-oxo-2-(2-oxoethyl)cyclohexanecarboxylate Methyl (1S,2R)-1,3,3-trimethyl-4-oxidanylidene-2-(2-oxidanylideneethyl)cyclohexane-1-carboxylate
Wiley ID 798969