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19-methyleicosanoate <methyl->
SpectraBase Compound ID AsDfBxf4s53
InChI InChI=1S/C22H44O2/c1-21(2)19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22(23)24-3/h21H,4-20H2,1-3H3
InChIKey CMVPFMWIPGEIMP-UHFFFAOYSA-N
Mol Weight 340.6 g/mol
Molecular Formula C22H44O2
Exact Mass 340.334131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9yzgiZHMDia
Name 19-methyleicosanoate
CAS Registry Number 95799-86-3
Classification Fatty esters; Fatty acid methyl esters
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 340.334130655 u
Formula C22H44O2
InChI InChI=1S/C22H44O2/c1-21(2)19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22(23)24-3/h21H,4-20H2,1-3H3
InChIKey CMVPFMWIPGEIMP-UHFFFAOYSA-N
Molecular Weight 340.592 g/mol
Number of Peaks 50
RI2 2063
RI4 2389
RI5 2065
SMILES C(CCCCCCCCCCCCCCCCCC(C)C)(=O)OC
SPLASH splash10-0076-9100000000-c9f6303923bc0898a7a9
Sample Comments RI1: measured on Equity-1 (Alkanes) RI2: measured on Supelcowax-10 (FAMEs) RI3: measured on Supelcowax-10 (FAEEs) RI4: measured on SLB-5ms (Alkanes) RI5: measured on SLB-5ms (FAMEs)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Eicosanoic acid, 19-methyl-, methyl ester Me. C21:0 iso
Wiley ID LM_LIPIDS2016_162