| SpectraBase Spectrum ID |
5sxywlfk1Iz |
| Name |
Isododecanoate |
| CAS Registry Number |
5129-56-6 |
| 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 |
214.193280075 u |
| Formula |
C13H26O2 |
| InChI |
InChI=1S/C13H26O2/c1-12(2)10-8-6-4-5-7-9-11-13(14)15-3/h12H,4-11H2,1-3H3 |
| InChIKey |
XPVCTJYIICVJOE-UHFFFAOYSA-N |
| Molecular Weight |
214.349 g/mol |
| Number of Peaks |
50 |
| RI2 |
1154 |
| RI4 |
1490 |
| RI5 |
1168 |
| SMILES |
C(CCCCCCCCC(C)C)(=O)OC |
| SPLASH |
splash10-00du-9100000000-dbf89d3a70c50c057ae5 |
| 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 |
Undecanoic acid, 10-methyl-, methyl ester
Me. C12:0 iso |
| Wiley ID |
LM_LIPIDS2016_140 |
