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Ricinelaidate <methyl->
SpectraBase Compound ID H3bbStqO7TN
InChI InChI=1S/C19H36O3/c1-3-4-5-12-15-18(20)16-13-10-8-6-7-9-11-14-17-19(21)22-2/h10,13,18,20H,3-9,11-12,14-17H2,1-2H3/b13-10+/t18-/m1/s1
InChIKey XKGDWZQXVZSXAO-LVMGUKCRSA-N
Mol Weight 312.5 g/mol
Molecular Formula C19H36O3
Exact Mass 312.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GHEavKR4my6
Name Ricinelaidate
CAS Registry Number 7706-01-6
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 312.266445016 u
Formula C19H36O3
InChI InChI=1S/C19H36O3/c1-3-4-5-12-15-18(20)16-13-10-8-6-7-9-11-14-17-19(21)22-2/h10,13,18,20H,3-9,11-12,14-17H2,1-2H3/b13-10+/t18-/m1/s1
InChIKey XKGDWZQXVZSXAO-LVMGUKCRSA-N
Molecular Weight 312.494 g/mol
Number of Peaks 229
RI2 2381
RI4 2293
RI5 1965
SMILES O[C@@](C\C=C\CCCCCCCC(=O)OC)(CCCCCC)[H]
SPLASH splash10-05u2-9400000000-37a3201e52b304ceb56a
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-Octadecenoic acid, 12-hydroxy-, methyl ester, (9E,12R)- Me. 12-OH C18:1n9
Wiley ID LM_LIPIDS2016_196