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Methyl 12-oxooctadecanoate
SpectraBase Compound ID 6PsTH7Im7Ge
InChI InChI=1S/C19H36O3/c1-3-4-5-12-15-18(20)16-13-10-8-6-7-9-11-14-17-19(21)22-2/h3-17H2,1-2H3
InChIKey XVSPEBNRFAFNAV-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 LTDYz0w7YVe
Name Octadecanoic acid, 12-oxo-, methyl ester
Alternate Name(s) Methyl 12-oxooctadecanoate 12-ketostearic acid methyl ester 12-Oxostearic acid, methyl ester Methyl 12-ketostearate Methyl 12-oxidanylideneoctadecanoate Methyl 12-oxostearate
CAS Registry Number 2380-27-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H36O3
InChI InChI=1S/C19H36O3/c1-3-4-5-12-15-18(20)16-13-10-8-6-7-9-11-14-17-19(21)22-2/h3-17H2,1-2H3
InChIKey XVSPEBNRFAFNAV-UHFFFAOYSA-N
Molecular Weight 312.494 g/mol
SMILES CCCCCCC(=O)CCCCCCCCCCC(=O)OC
SPLASH splash10-0006-9200000000-f82fd6c2c3f4fd2b84d4
Source of Spectrum Va-0-0-0
Wiley ID 742238