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3-oxooctadecanoic acid, methyl ester
SpectraBase Compound ID 36f4ten16WX
InChI InChI=1S/C19H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17-19(21)22-2/h3-17H2,1-2H3
InChIKey UKKQXJNTICLENY-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 LJflcR07Dqy
Name Octadecanoic acid, 3-oxo-, methyl ester
Alternate Name(s) 3-ketostearic acid methyl ester Methyl 3-oxidanylideneoctadecanoate 3-Oxooctadecanoic acid methyl ester EINECS 238-555-8
CAS Registry Number 14531-34-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H36O3
InChI InChI=1S/C19H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17-19(21)22-2/h3-17H2,1-2H3
InChIKey UKKQXJNTICLENY-UHFFFAOYSA-N
Molecular Weight 312.494 g/mol
SMILES C(=O)(OC)CC(=O)CCCCCCCCCCCCCCC
SPLASH splash10-014i-9700000000-3ba7d51e7805f10fdaba
Source of Spectrum Va-0-0-0
Wiley ID 742223