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Cyclooctanecarboxylic acid, 2-oxo-1-(3-oxopropyl)-, ethyl ester
SpectraBase Compound ID 1dP1RJmbd10
InChI InChI=1S/C14H22O4/c1-2-18-13(17)14(10-7-11-15)9-6-4-3-5-8-12(14)16/h11H,2-10H2,1H3
InChIKey IXGMNQHNUDNPJT-UHFFFAOYSA-N
Mol Weight 254.33 g/mol
Molecular Formula C14H22O4
Exact Mass 254.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B6ctE6XWDIV
Name Cyclooctanecarboxylic acid, 2-oxo-1-(3-oxopropyl)-, ethyl ester
Alternate Name(s) Ethyl 2-oxo-1-(3-oxopropyl)cyclooctanecarboxylate 2-keto-1-(3-ketopropyl)cyclooctanecarboxylic acid ethyl ester 2-Oxo-1-(3-oxopropyl)-1-cyclooctanecarboxylic acid ethyl ester Ethyl 1-(2-formylethyl)-2-oxocylooctane-1-carboxylate Ethyl 2-oxidanylidene-1-(3-oxidanylidenepropyl)cyclooctane-1-carboxylate Ethyl 2-oxo-1-(3-oxopropyl)cyclooctane-1-carboxylate
CAS Registry Number 13347-96-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O4
InChI InChI=1S/C14H22O4/c1-2-18-13(17)14(10-7-11-15)9-6-4-3-5-8-12(14)16/h11H,2-10H2,1H3
InChIKey IXGMNQHNUDNPJT-UHFFFAOYSA-N
Molecular Weight 254.326 g/mol
SMILES C1CCC(C(CCC1)=O)(CCC=O)C(OCC)=O
SPLASH splash10-0aou-9500000000-4a15f3e93dae2924d00c
Source of Spectrum H-69-1327-2
Wiley ID 1257698