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2-keto-1-(3-ketopropyl)cyclohexane-1-carboxylic acid ethyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-keto-1-(3-ketopropyl)cyclohexane-1-carboxylic acid ethyl ester
SpectraBase Compound ID FMzeHSa3BgC
InChI InChI=1S/C12H18O4/c1-2-16-11(15)12(8-5-9-13)7-4-3-6-10(12)14/h9H,2-8H2,1H3
InChIKey PCQNBOVVMWMJKF-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 2fI6I3u6KOM
Name 2-keto-1-(3-ketopropyl)cyclohexanecarboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-2-16-11(15)12(8-5-9-13)7-4-3-6-10(12)14/h9H,2-8H2,1H3
InChIKey PCQNBOVVMWMJKF-UHFFFAOYSA-N
Molecular Weight 226.272 g/mol
SMILES C1(C(=O)OCC)(C(=O)CCCC1)CCC=O
SPLASH splash10-05fr-4910000000-32aecf2067ee52755dc2
Source of Spectrum ES-2005-2994-2
Synonyms 2-Oxo-1-(3-oxopropyl)-1-cyclohexanecarboxylic acid ethyl ester Ethyl 2-oxidanylidene-1-(3-oxidanylidenepropyl)cyclohexane-1-carboxylate Ethyl 2-oxo-1-(3-oxopropyl)cyclohexane-1-carboxylate Ethyl 2-oxo-1-(3-oxopropyl)cyclohexanecarboxylate
Wiley ID 1563527