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Cyclohexanecarboxylic acid, 1-butyl-2-oxo-, ethyl ester
SpectraBase Compound ID 1omWqIhyDyq
InChI InChI=1S/C13H22O3/c1-3-5-9-13(12(15)16-4-2)10-7-6-8-11(13)14/h3-10H2,1-2H3
InChIKey QXMSCKHONDJFCD-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 DUIyA5AK6j0
Name Cyclohexanecarboxylic acid, 1-butyl-2-oxo-, ethyl ester
Alternate Name(s) Ethyl 1-butyl-2-oxocyclohexanecarboxylate Ethyl 2oxo-1-butylcyclohexanecarboxylate
CAS Registry Number 66709-51-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-3-5-9-13(12(15)16-4-2)10-7-6-8-11(13)14/h3-10H2,1-2H3
InChIKey QXMSCKHONDJFCD-UHFFFAOYSA-N
Molecular Weight 226.316 g/mol
SMILES C1(C(=O)OCC)(C(=O)CCCC1)CCCC
SPLASH splash10-00di-0900000000-8871430ffa84bb71fcf0
Source of Spectrum F-45-89-36
Wiley ID 1227584