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Eicosanoic acid methyl ester
SpectraBase Compound ID 1Bxn5pwa9WL
InChI InChI=1S/C21H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h3-20H2,1-2H3
InChIKey QGBRLVONZXHAKJ-UHFFFAOYSA-N
Mol Weight 326.6 g/mol
Molecular Formula C21H42O2
Exact Mass 326.318481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2nM1ts9kaWG
Name Arachidic acid methyl ester
CAS Registry Number 54746-03-1
Classification Chemical
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 326.318480590 u
Formula C21H42O2
InChI InChI=1S/C21H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h3-20H2,1-2H3
InChIKey QGBRLVONZXHAKJ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 326.565 g/mol
Nominal Mass 326 u
Quality 963
Retention Index 2291
SMILES C(CCCCCCCCCCCCCCCCCCC)(OC)=O
SPLASH splash10-00du-9110000000-a960759e38ae120bc3d4
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Methyl eicosenate Methyl icosanoate
Technique GC/MS
Wiley ID DD2024_014669