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Heneicosanoic acid, 20-oxo-, methyl ester
SpectraBase Compound ID 5RMzmxwudf8
InChI InChI=1S/C22H42O3/c1-21(23)19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22(24)25-2/h3-20H2,1-2H3
InChIKey ZBBIYDHWGWPXEF-UHFFFAOYSA-N
Mol Weight 354.6 g/mol
Molecular Formula C22H42O3
Exact Mass 354.313395 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C8N5MrjUvOD
Name Heneicosanoic acid, 20-oxo-, methyl ester
Alternate Name(s) Methyl 20-oxohenicosanoate 20-ketoheneicosanoic acid methyl ester 20-oxoheneicosanoic acid methyl ester Methyl 20-oxidanylidenehenicosanoate
CAS Registry Number 56247-70-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H42O3
InChI InChI=1S/C22H42O3/c1-21(23)19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22(24)25-2/h3-20H2,1-2H3
InChIKey ZBBIYDHWGWPXEF-UHFFFAOYSA-N
Molecular Weight 354.575 g/mol
SMILES C(C(OC)=O)CCCCCCCCCCCCCCCCCC(C)=O
SPLASH splash10-052f-9110000000-c8b48c03e4ee09d30906
Source of Spectrum G-37-2457-1
Wiley ID 1344919