| SpectraBase Spectrum ID |
F9oHTvu8PYF |
| Name |
Hexadecanoate |
| CAS Registry Number |
36254-90-7 |
| 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 |
282.255880333 u |
| 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 |
| Molecular Weight |
282.468 g/mol |
| Number of Peaks |
216 |
| RI2 |
1719 |
| RI4 |
2009 |
| SMILES |
[C@]1([C@](C1)(CCCCCC)[H])(CCCCCCCC(=O)OC)[H] |
| SPLASH |
splash10-06ed-9300000000-7f9bc5d39fbf55515c65 |
| 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-hexyl-, methyl ester, (1R,2S)-rel-
Me. 9,10-methylene C16:0 |
| Wiley ID |
LM_LIPIDS2016_114 |
