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METHYL-16-OXO-OCTADECANOATE
SpectraBase Compound ID F9vScjqB0Cr
InChI InChI=1S/C19H36O3/c1-3-18(20)16-14-12-10-8-6-4-5-7-9-11-13-15-17-19(21)22-2/h3-17H2,1-2H3
InChIKey IYSITFOIRGLNED-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 Jb8sHB0B1ar
Name Octadecanoic acid, 16-oxo-, methyl ester
Alternate Name(s) Methyl 16-oxooctadecanoate 16-ketostearic acid methyl ester Methyl 16-oxidanylideneoctadecanoate Methyl 16-oxostearate 16-oxooctadecanoic acid methyl ester
CAS Registry Number 2380-31-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H36O3
InChI InChI=1S/C19H36O3/c1-3-18(20)16-14-12-10-8-6-4-5-7-9-11-13-15-17-19(21)22-2/h3-17H2,1-2H3
InChIKey IYSITFOIRGLNED-UHFFFAOYSA-N
Molecular Weight 312.494 g/mol
SMILES C(C(CC)=O)CCCCCCCCCCCCCC(OC)=O
SPLASH splash10-0a5c-9050000000-9adce990b173b1a73bd3
Source of Spectrum Va-0-0-0
Wiley ID 742242