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Methyl 3-oxoheneicosanoate

View entire compound with spectra: 1 MS (GC)

Methyl 3-oxoheneicosanoate
SpectraBase Compound ID 3mM3gnU9HZv
InChI InChI=1S/C22H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)20-22(24)25-2/h3-20H2,1-2H3
InChIKey ZHCJXRHZELDEBQ-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 CZkepOHxyUK
Name Methyl 3-oxoheneicosanoate
Alternate Name(s) Methyl 3-oxohenicosanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H42O3
InChI InChI=1S/C22H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)20-22(24)25-2/h3-20H2,1-2H3
InChIKey ZHCJXRHZELDEBQ-UHFFFAOYSA-N
Molecular Weight 354.575 g/mol
SMILES C(CC(CCCCCCCCCCCCCCCCCC)=O)(=O)OC
SPLASH splash10-014i-6911000000-22bfd8b5b030af2f7c2a
Source of Spectrum X2-50-649-6
Wiley ID 1602344