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METHYL-4-OXO-OCTADECANOATE
SpectraBase Compound ID 3SfFW2hojeL
InChI InChI=1S/C19H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)16-17-19(21)22-2/h3-17H2,1-2H3
InChIKey UIUPUTHABPRTHT-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 BiPEJYpBWvj
Name Octadecanoic acid, 4-oxo-, methyl ester
CAS Registry Number 2380-19-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H36O3
InChI InChI=1S/C19H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)16-17-19(21)22-2/h3-17H2,1-2H3
InChIKey UIUPUTHABPRTHT-UHFFFAOYSA-N
Molecular Weight 312.494 g/mol
SMILES C(C(CCCCCCCCCCCCCC)=O)CC(OC)=O
SPLASH splash10-001i-3920000000-e9e7e0b095340194ff38
Source of Spectrum Va-0-0-0
Synonyms Methyl 4-oxooctadecanoate 4-ketostearic acid methyl ester Methyl 4-oxidanylideneoctadecanoate
Wiley ID 742224