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(+/-)-Hexyl 2-oxocyclohexanecarboxylate

View entire compound with spectra: 2 MS (GC)

(+/-)-Hexyl 2-oxocyclohexanecarboxylate
SpectraBase Compound ID DGfOHBILrTL
InChI InChI=1S/C13H22O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h11H,2-10H2,1H3
InChIKey CAKWEOAQZUGLPT-UHFFFAOYSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5JiErvSMmtq
Name (+/-)-Hexyl 2-oxocyclohexanecarboxylate
Classification 1,3-dicarbonyl compounds
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 226.156894565 u
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h11H,2-10H2,1H3
InChIKey CAKWEOAQZUGLPT-UHFFFAOYSA-N
Molecular Weight 226.316 g/mol
Number of Peaks 20
SMILES C1(C(CCCC1)=O)C(=O)OCCCCCC
SPLASH splash10-006x-6900000000-0cf021de6613ec6d79fd
Source of Spectrum FF-29-81-28 (DOI: 10.1002/ffj.3182)
Synonyms Hexyl 2-oxocyclohexanecarboxylate 2-Oxo-1-cyclohexanecarboxylic acid hexyl ester Hexyl 2-oxocyclohexane-1-carboxylate Hexyl 2-oxidanylidenecyclohexane-1-carboxylate
Wiley ID 1775668