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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 KeOxT86Ismm
Name 9 (R), 10 (S)-methyleneoctadecanoate
CAS Registry Number 10152-62-2
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 310.287180462 u
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
Molecular Weight 310.522 g/mol
Number of Peaks 245
RI2 1925
RI4 2207
RI5 1884
SMILES [C@]1([C@](C1)(CCCCCCCC)[H])(CCCCCCCC(=O)OC)[H]
SPLASH splash10-05ng-9200000000-042418cfc9ffa9138ece
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 Cyclopropaneoctanoic acid, 2-octyl-, methyl ester, (1R,2S)-rel-
Wiley ID LM_LIPIDS2016_158