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METHYL-8-OXO-OCTADECANOATE
SpectraBase Compound ID 7zOU9CYMp06
InChI InChI=1S/C19H36O3/c1-3-4-5-6-7-8-9-12-15-18(20)16-13-10-11-14-17-19(21)22-2/h3-17H2,1-2H3
InChIKey WYJRXGALGVIRCQ-UHFFFAOYSA-N
Mol Weight 312.5 g/mol
Molecular Formula C19H36O3
Exact Mass 312.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9gUYLjQtYa1
Name Octadecanoic acid, 8-oxo-, methyl ester
Alternate Name(s) Methyl 8-oxooctadecanoate 8-Ketostearic acid methyl ester Methyl 8-oxidanylideneoctadecanoate Methyl 8-oxostearate 8-Oxooctadecanoic acid methyl ester
CAS Registry Number 2380-23-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H36O3
InChI InChI=1S/C19H36O3/c1-3-4-5-6-7-8-9-12-15-18(20)16-13-10-11-14-17-19(21)22-2/h3-17H2,1-2H3
InChIKey WYJRXGALGVIRCQ-UHFFFAOYSA-N
Molecular Weight 312.494 g/mol
SMILES C(C(CCCCCCCCCC)=O)CCCCCC(OC)=O
SPLASH splash10-00au-5900000000-a72998f46f6dfbc87316
Source of Spectrum Va-0-0-0
Wiley ID 742227