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Docosanoic acid, 13-oxo-, methyl ester
SpectraBase Compound ID 8nUepxc5yTm
InChI InChI=1S/C23H44O3/c1-3-4-5-6-10-13-16-19-22(24)20-17-14-11-8-7-9-12-15-18-21-23(25)26-2/h3-21H2,1-2H3
InChIKey DPXSRSSOKDGKHD-UHFFFAOYSA-N
Mol Weight 368.6 g/mol
Molecular Formula C23H44O3
Exact Mass 368.329045 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Z5NR4CNG4
Name Docosanoic acid, 13-oxo-, methyl ester
Alternate Name(s) 13-ketobehenic acid methyl ester 13-oxodocosanoic acid methyl ester Methyl 13-oxidanylidenedocosanoate Methyl 13-oxodocosanoate
CAS Registry Number 2388-99-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H44O3
InChI InChI=1S/C23H44O3/c1-3-4-5-6-10-13-16-19-22(24)20-17-14-11-8-7-9-12-15-18-21-23(25)26-2/h3-21H2,1-2H3
InChIKey DPXSRSSOKDGKHD-UHFFFAOYSA-N
Molecular Weight 368.602 g/mol
SMILES C(C(CCCCCCCCC)=O)CCCCCCCCCCC(OC)=O
SPLASH splash10-0abc-9510000000-6497bb096f18c1ae3dce
Source of Spectrum D-9-4286-9
Wiley ID 1353329