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1-Acetonyl-2-keto-cyclohexanecarboxylic acid ethyl ester
SpectraBase Compound ID FTUgBLOAi8I
InChI InChI=1S/C12H18O4/c1-3-16-11(15)12(8-9(2)13)7-5-4-6-10(12)14/h3-8H2,1-2H3
InChIKey TYDNIGLSKOILTL-UHFFFAOYSA-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 EYkdxOpDrTn
Name 1-Acetonyl-2-keto-cyclohexanecarboxylic acid ethyl ester
Alternate Name(s) 2-Oxo-1-(2-oxopropyl)-1-cyclohexanecarboxylic acid ethyl ester Ethyl 1-acetonyl-2-oxo-cyclohexanecarboxylate Ethyl 2-oxidanylidene-1-(2-oxidanylidenepropyl)cyclohexane-1-carboxylate Ethyl 2-oxo-1-(2-oxopropyl)cyclohexane-1-carboxylate
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Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-3-16-11(15)12(8-9(2)13)7-5-4-6-10(12)14/h3-8H2,1-2H3
InChIKey TYDNIGLSKOILTL-UHFFFAOYSA-N
Molecular Weight 226.272 g/mol
SMILES C1(C(=O)OCC)(C(=O)CCCC1)CC(=O)C
SPLASH splash10-001i-0900000000-fe58815fc2d092427c91
Source of Spectrum K-127-872-43
Wiley ID 1227344