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Methyl 8-methyl-3-oxoicosanoate
SpectraBase Compound ID GWqc0Xq0CCe
InChI InChI=1S/C22H42O3/c1-4-5-6-7-8-9-10-11-12-13-16-20(2)17-14-15-18-21(23)19-22(24)25-3/h20H,4-19H2,1-3H3
InChIKey IIIBDYBAUDVXIG-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 s1momkAjY
Name Methyl 8-methyl-3-oxoicosanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H42O3
InChI InChI=1S/C22H42O3/c1-4-5-6-7-8-9-10-11-12-13-16-20(2)17-14-15-18-21(23)19-22(24)25-3/h20H,4-19H2,1-3H3
InChIKey IIIBDYBAUDVXIG-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.tet.2016.06.033
Molecular Weight 354.575 g/mol
SMILES C(CC(CCCCC(CCCCCCCCCCCC)C)=O)(=O)OC
SPLASH splash10-0abl-9110000000-214bb2a66a023a5d69df
Source of Spectrum Kenji Mori, et al. Tetrahedron, 10.1016/j.tet.2016.06.033
Wiley ID 1815044