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4-oxocyclohexanepropionic acid, ethyl ester
SpectraBase Compound ID KKEJkhukyBY
InChI InChI=1S/C11H18O3/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h9H,2-8H2,1H3
InChIKey IPJGROZEJICJSS-UHFFFAOYSA-N
Mol Weight 198.26 g/mol
Molecular Formula C11H18O3
Exact Mass 198.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4hUtZri82K
Name 3-(4-Oxocyclohexyl)-propionic acid, ethyl ester
CAS Registry Number 58012-66-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O3
InChI InChI=1S/C11H18O3/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h9H,2-8H2,1H3
InChIKey IPJGROZEJICJSS-UHFFFAOYSA-N
Molecular Weight 198.262 g/mol
SMILES C1(=O)CCC(CC1)CCC(=O)OCC
SPLASH splash10-0kbe-9400000000-affd610769d83780e2f3
Synonyms 3-(4-ketocyclohexyl)propionic acid ethyl ester 3-(4-oxocyclohexyl)propanoic acid ethyl ester Cyclohexanepropionic acid, 4-oxo-, ethyl ester Ethyl 3-(4-oxidanylidenecyclohexyl)propanoate Ethyl 3-(4-oxocyclohexyl)propanoate
Wiley ID 1482653