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METHYL-13-OXO-OCTADECANOATE
SpectraBase Compound ID 7302abyjrhV
InChI InChI=1S/C19H36O3/c1-3-4-12-15-18(20)16-13-10-8-6-5-7-9-11-14-17-19(21)22-2/h3-17H2,1-2H3
InChIKey PJELCFQUQJJWGD-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 C26moEvDUod
Name Octadecanoic acid, 13-oxo-, methyl ester
Alternate Name(s) Methyl 13-oxooctadecanoate 13-ketostearic acid methyl ester Methyl 13-oxidanylideneoctadecanoate Methyl 13-oxostearate
CAS Registry Number 2380-28-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H36O3
InChI InChI=1S/C19H36O3/c1-3-4-12-15-18(20)16-13-10-8-6-5-7-9-11-14-17-19(21)22-2/h3-17H2,1-2H3
InChIKey PJELCFQUQJJWGD-UHFFFAOYSA-N
Molecular Weight 312.494 g/mol
SMILES C(C(CCCCC)=O)CCCCCCCCCCC(OC)=O
SPLASH splash10-052f-9210000000-48180f87284cf7e13fa8
Source of Spectrum AD-0-1955-0
Wiley ID 46519