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METHYL-17-OXO-OCTADECANOATE
SpectraBase Compound ID 9O5Xwrt9Zsp
InChI InChI=1S/C19H36O3/c1-18(20)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19(21)22-2/h3-17H2,1-2H3
InChIKey ZCEPZEDNDLTDEN-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 28yjzvHOnQ
Name Octadecanoic acid, 17-oxo-, methyl ester
Alternate Name(s) 17-ketostearic acid methyl ester Methyl 17-oxooctadecanoate Methyl 17-oxidanylideneoctadecanoate 17-oxooctadecanoic acid methyl ester
CAS Registry Number 2380-32-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H36O3
InChI InChI=1S/C19H36O3/c1-18(20)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19(21)22-2/h3-17H2,1-2H3
InChIKey ZCEPZEDNDLTDEN-UHFFFAOYSA-N
Molecular Weight 312.494 g/mol
SMILES C(CCCCCCCCCCCCCCCC(C)=O)(=O)OC
SPLASH splash10-0abc-9070000000-222df2bacf7cf321e09e
Source of Spectrum JX-2015-6-2027
Wiley ID 1728223