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Hexadecanoate <methyl-, cis-9,10-methylene->
SpectraBase Compound ID 24Nln1h34XX
InChI InChI=1S/C18H34O2/c1-3-4-5-9-12-16-15-17(16)13-10-7-6-8-11-14-18(19)20-2/h16-17H,3-15H2,1-2H3/t16-,17+/m0/s1
InChIKey LQYIDOFTTFCXEO-DLBZAZTESA-N
Mol Weight 282.5 g/mol
Molecular Formula C18H34O2
Exact Mass 282.25588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K9o7GeOWkV1
Name Hexadecanoate
CAS Registry Number 36254-90-7
Classification Fatty esters; Fatty acid methyl esters
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Formula C18H34O2
InChI InChI=1S/C18H34O2/c1-3-4-5-9-12-16-15-17(16)13-10-7-6-8-11-14-18(19)20-2/h16-17H,3-15H2,1-2H3/t16-,17+/m0/s1
InChIKey LQYIDOFTTFCXEO-DLBZAZTESA-N
Number of Peaks 216
RI2 1719
RI4 2009
SMILES [C@]1([C@](C1)(CCCCCC)[H])(CCCCCCCC(=O)OC)[H]
SPLASH splash10-06ed-9300000000-7f9bc5d39fbf55515c65
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Cyclopropaneoctanoic acid, 2-hexyl-, methyl ester, (1R,2S)-rel- Me. 9,10-methylene C16:0
Wiley ID LM_LIPIDS2016_114