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METHYL-3-HYDROXYOCTADECANOATE
SpectraBase Compound ID ElmZeeoAvMR
InChI InChI=1S/C19H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17-19(21)22-2/h18,20H,3-17H2,1-2H3
InChIKey XIGHAQIRKIFLFB-UHFFFAOYSA-N
Mol Weight 314.5 g/mol
Molecular Formula C19H38O3
Exact Mass 314.282095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KCT1rXed8jl
Name Stearate
CAS Registry Number 2420-36-2
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 314.282095081 u
Formula C19H38O3
InChI InChI=1S/C19H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17-19(21)22-2/h18,20H,3-17H2,1-2H3
InChIKey XIGHAQIRKIFLFB-UHFFFAOYSA-N
Molecular Weight 314.510 g/mol
Number of Peaks 234
RI2 2279
RI4 2278
RI5 1954
SMILES OC(CC(=O)OC)CCCCCCCCCCCCCCC
SPLASH splash10-0udi-9700000000-75a5ebd254f862bc2c89
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 Octadecanoic acid, 3-hydroxy-, methyl ester Me. 3-OH C18:0
Wiley ID LM_LIPIDS2016_67