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9Z-Eicosenoate <methyl->
SpectraBase Compound ID BxY60Im90IC
InChI InChI=1S/C21H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h12-13H,3-11,14-20H2,1-2H3/b13-12-
InChIKey XEJYCWVISZMIDA-SEYXRHQNSA-N
Mol Weight 324.5 g/mol
Molecular Formula C21H40O2
Exact Mass 324.302831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9OPx8AZt7sw
Name 9Z-Eicosenoate
CAS Registry Number 67810-35-9
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 324.302830526 u
Formula C21H40O2
InChI InChI=1S/C21H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h12-13H,3-11,14-20H2,1-2H3/b13-12-
InChIKey XEJYCWVISZMIDA-SEYXRHQNSA-N
Molecular Weight 324.549 g/mol
Number of Peaks 248
RI2 2028
RI4 2297
RI5 1969
SMILES C(CCCCCCC\C=C/CCCCCCCCCC)(=O)OC
SPLASH splash10-05nb-9310000000-27b56b3d4c1fcbbd537a
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 9-Eicosenoic acid, methyl ester, (9Z) Me. C20:1n11
Wiley ID LM_LIPIDS2016_218