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Methyl 7-oxooctadecanoate
SpectraBase Compound ID 27VWvFKloNM
InChI InChI=1S/C19H36O3/c1-3-4-5-6-7-8-9-10-12-15-18(20)16-13-11-14-17-19(21)22-2/h3-17H2,1-2H3
InChIKey QTHPCXRUUSTYCU-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 5N8HYtAqsAN
Name Octadecanoic acid, 7-oxo-, methyl ester
Alternate Name(s) Methyl 7-oxooctadecanoate 7-Ketostearic acid methyl ester Methyl 7-ketooctadecanate Methyl 7-oxidanylideneoctadecanoate 7-Oxooctadecanoic acid methyl ester
CAS Registry Number 2380-22-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H36O3
InChI InChI=1S/C19H36O3/c1-3-4-5-6-7-8-9-10-12-15-18(20)16-13-11-14-17-19(21)22-2/h3-17H2,1-2H3
InChIKey QTHPCXRUUSTYCU-UHFFFAOYSA-N
Molecular Weight 312.494 g/mol
SMILES C(CCCCCC(CCCCCCCCCCC)=O)(=O)OC
SPLASH splash10-0006-9200000000-409d92b8399fdad681e9
Source of Spectrum JX-2015-6-1390
Wiley ID 1728035