| SpectraBase Spectrum ID |
1J2LxPFUEF8 |
| Name |
Isotridecanoate |
| CAS Registry Number |
5129-57-7 |
| 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 |
228.208930140 u |
| Formula |
C14H28O2 |
| InChI |
InChI=1S/C14H28O2/c1-13(2)11-9-7-5-4-6-8-10-12-14(15)16-3/h13H,4-12H2,1-3H3 |
| InChIKey |
GSRXTORWPQDOOY-UHFFFAOYSA-N |
| Molecular Weight |
228.376 g/mol |
| Number of Peaks |
50 |
| RI2 |
1253 |
| RI4 |
1585 |
| RI5 |
1265 |
| SMILES |
C(CCCCCCCCCC(C)C)(=O)OC |
| SPLASH |
splash10-00du-9100000000-4f38ca0dcd70ce61d9f4 |
| 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 |
Dodecanoic acid, 11-methyl-, methyl ester
Me. C13:0 iso |
| Wiley ID |
LM_LIPIDS2016_139 |
