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4-ketocyclohexane-1,1-dicarboxylic acid diethyl ester
SpectraBase Compound ID 6auYqXox4mm
InChI InChI=1S/C12H18O5/c1-3-16-10(14)12(11(15)17-4-2)7-5-9(13)6-8-12/h3-8H2,1-2H3
InChIKey GDAVCKWOYPPSEU-UHFFFAOYSA-N
Mol Weight 242.27 g/mol
Molecular Formula C12H18O5
Exact Mass 242.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GPTgwj7EGrJ
Name 4-ketocyclohexane-1,1-dicarboxylic acid diethyl ester
Alternate Name(s) 4-Oxocyclohexane-1,1-dicarboxylic acid diethyl ester Diethyl 4-oxidanylidenecyclohexane-1,1-dicarboxylate Diethyl 4-oxo-1,1-cyclohexanedicarboxylate Diethyl 4-oxocyclohexane-1,1-dicarboxylate
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Formula C12H18O5
InChI InChI=1S/C12H18O5/c1-3-16-10(14)12(11(15)17-4-2)7-5-9(13)6-8-12/h3-8H2,1-2H3
InChIKey GDAVCKWOYPPSEU-UHFFFAOYSA-N
Molecular Weight 242.271 g/mol
SMILES C1(C(=O)OCC)(C(=O)OCC)CCC(CC1)=O
SPLASH splash10-00kg-2920000000-a521310ef9c66665da93
Source of Spectrum C-116-6781-41
Wiley ID 1244844