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Methyl 5-oxo-cyclononane-1-carboxylate
SpectraBase Compound ID DQRSP1RG2Lz
InChI InChI=1S/C11H18O3/c1-14-11(13)9-5-2-3-7-10(12)8-4-6-9/h9H,2-8H2,1H3
InChIKey DJVLKBQIEKSTKK-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 KWhFhaKoOWw
Name Cyclononanecarboxylic acid, 5-oxo-, methyl ester
Alternate Name(s) Methyl 5-oxocyclononane-1-carboxylate Methyl 5-oxocyclononanecarboxylate
CAS Registry Number 112818-20-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O3
InChI InChI=1S/C11H18O3/c1-14-11(13)9-5-2-3-7-10(12)8-4-6-9/h9H,2-8H2,1H3
InChIKey DJVLKBQIEKSTKK-UHFFFAOYSA-N
Molecular Weight 198.262 g/mol
SMILES C(=O)(C1CCCC(=O)CCCC1)OC
SPLASH splash10-00kr-0900000000-95e449eb0d85b59e04bd
Source of Spectrum C-110-2574-49
Wiley ID 1195514