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Nonanoic acid-ethylester
SpectraBase Compound ID 4kJKnXtVRCX
InChI InChI=1S/C11H22O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3-10H2,1-2H3
InChIKey BYEVBITUADOIGY-UHFFFAOYSA-N
Mol Weight 186.29 g/mol
Molecular Formula C11H22O2
Exact Mass 186.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3aHTEprCXkh
Name Nonanoate
Source of Sample SAFC Cat. #W244708
CAS Registry Number 123-29-5
Classification Fatty esters; Fatty acid ethyl esters
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 186.161979946 u
Formula C11H22O2
InChI InChI=1S/C11H22O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3-10H2,1-2H3
InChIKey BYEVBITUADOIGY-UHFFFAOYSA-N
Molecular Weight 186.295 g/mol
Number of Peaks 50
RI2 948
RI4 1297
RI5 975
SMILES C(CCCCCCCC)(=O)OCC
SPLASH splash10-000l-9100000000-025d76bd406681e72142
Sample Comments RI1: measured on Equity-1 (Alkanes) RI2: measured on Supelcowax-10 (FAMEs) RI3: measured on Supelcowax-10 (FAEEs) RI4: measured on SLB-5ms (Alkanes) RI5: measured on SLB-5ms (FAMEs)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Nonanoic acid, ethyl ester
Wiley ID LM_LIPIDS2016_378