| SpectraBase Spectrum ID |
3U6cIjPLPdd |
| Name |
Dihydrosterculate |
| CAS Registry Number |
3971-54-8 |
| 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 |
1916 |
| RI4 |
2208 |
| SMILES |
[C@]1([C@](C1)(CCCCCCCC)[H])(CCCCCCCC(=O)OC)[H] |
| SPLASH |
splash10-067m-9300000000-30aa66cff5de04f23db3 |
| 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-
Me. 9,10-methylene C18: 0 |
| Wiley ID |
LM_LIPIDS2016_116 |
