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3-[(1S,2S)-3-keto-2-(2-ketoethyl)cyclopentyl]propionic acid ethyl ester
SpectraBase Compound ID KfBdMw2V1hh
InChI InChI=1S/C12H18O4/c1-2-16-12(15)6-4-9-3-5-11(14)10(9)7-8-13/h8-10H,2-7H2,1H3/t9-,10-/m0/s1
InChIKey ZQTZUPCQKWKXQH-UWVGGRQHSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 32A1glEn7A
Name 3-[(1S,2S)-3-keto-2-(2-ketoethyl)cyclopentyl]propionic acid ethyl ester
Alternate Name(s) 3-[(1S,2S)-3-oxo-2-(2-oxoethyl)cyclopentyl]propanoic acid ethyl ester Ethyl 3-[(1S,2S)-3-oxidanylidene-2-(2-oxidanylideneethyl)cyclopentyl]propanoate Ethyl 3-[(1S,2S)-3-oxo-2-(2-oxoethyl)cyclopentyl]propanoate
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Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-2-16-12(15)6-4-9-3-5-11(14)10(9)7-8-13/h8-10H,2-7H2,1H3/t9-,10-/m0/s1
InChIKey ZQTZUPCQKWKXQH-UWVGGRQHSA-N
Molecular Weight 226.272 g/mol
SMILES C1([C@]([C@](CCC(=O)OCC)(CC1)[H])(CC=O)[H])=O
SPLASH splash10-06r2-9400000000-2cf9df3a9dce01ee29d2
Source of Spectrum J-61-6436-11
Wiley ID 1227366