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9 (R), 10 (S)-methyleneoctadecanoate <methyl->
SpectraBase Compound ID 2Aa0ZQ2Irka
InChI InChI=1S/C20H38O2/c1-3-4-5-6-8-11-14-18-17-19(18)15-12-9-7-10-13-16-20(21)22-2/h18-19H,3-17H2,1-2H3/t18-,19+/m0/s1
InChIKey WKDUVICSOMXTKJ-RBUKOAKNSA-N
Mol Weight 310.5 g/mol
Molecular Formula C20H38O2
Exact Mass 310.28718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 79rH9UX1f0E
Name Dihydrosterculate
CAS Registry Number 3971-54-8
Classification Fatty esters; Fatty acid methyl esters
Copyright Copyright © 2016-2024  John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H38O2
InChI InChI=1S/C20H38O2/c1-3-4-5-6-8-11-14-18-17-19(18)15-12-9-7-10-13-16-20(21)22-2/h18-19H,3-17H2,1-2H3/t18-,19+/m0/s1
InChIKey WKDUVICSOMXTKJ-RBUKOAKNSA-N
Number of Peaks 245
RI2 1916
RI4 2208
SMILES [C@]1([C@](C1)(CCCCCCCC)[H])(CCCCCCCC(=O)OC)[H]
SPLASH splash10-067m-9300000000-30aa66cff5de04f23db3
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Cyclopropaneoctanoic acid, 2-octyl-, methyl ester, (1R,2S)-rel- Me. 9,10-methylene C18: 0
Wiley ID LM_LIPIDS2016_116