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5-(3-ketocyclohexyl)valeric acid ethyl ester
SpectraBase Compound ID IaYL6QH21I3
InChI InChI=1S/C13H22O3/c1-2-16-13(15)9-4-3-6-11-7-5-8-12(14)10-11/h11H,2-10H2,1H3
InChIKey VYNVCFJDWGGDPX-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 96uqRyW0gjB
Name 5-(3-ketocyclohexyl)valeric acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-2-16-13(15)9-4-3-6-11-7-5-8-12(14)10-11/h11H,2-10H2,1H3
InChIKey VYNVCFJDWGGDPX-UHFFFAOYSA-N
Molecular Weight 226.316 g/mol
SMILES C(=O)(OCC)CCCCC1CC(=O)CCC1
SPLASH splash10-0002-9100000000-259885fb953326a57598
Source of Spectrum C-117-6127-6
Synonyms 5-(3-oxocyclohexyl)pentanoic acid ethyl ester Ethyl 5-(3-oxidanylidenecyclohexyl)pentanoate Ethyl 5-(3-oxocyclohexyl)pentanoate
Wiley ID 759053