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3-[(1S,2S)-3-keto-2-(2-ketoethyl)cyclohexyl]propionic acid ethyl ester
SpectraBase Compound ID 1aCkpk1d0bq
InChI InChI=1S/C13H20O4/c1-2-17-13(16)7-6-10-4-3-5-12(15)11(10)8-9-14/h9-11H,2-8H2,1H3/t10-,11-/m0/s1
InChIKey BQYUWZCKHNTGCF-QWRGUYRKSA-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 4IcNpc9bKS
Name 3-[(1S,2S)-3-keto-2-(2-ketoethyl)cyclohexyl]propionic acid ethyl ester
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Formula C13H20O4
InChI InChI=1S/C13H20O4/c1-2-17-13(16)7-6-10-4-3-5-12(15)11(10)8-9-14/h9-11H,2-8H2,1H3/t10-,11-/m0/s1
InChIKey BQYUWZCKHNTGCF-QWRGUYRKSA-N
Molecular Weight 240.299 g/mol
SMILES C1([C@]([C@](CCC(=O)OCC)(CCC1)[H])(CC=O)[H])=O
SPLASH splash10-08fr-4900000000-5ff4236f922826712eb8
Source of Spectrum J-61-6436-11
Synonyms 3-[(1S,2S)-3-oxo-2-(2-oxoethyl)cyclohexyl]propanoic acid ethyl ester Ethyl 3-[(1S,2S)-3-oxidanylidene-2-(2-oxidanylideneethyl)cyclohexyl]propanoate Ethyl 3-[(1S,2S)-3-oxo-2-(2-oxoethyl)cyclohexyl]propanoate
Wiley ID 1242907