| SpectraBase Spectrum ID |
1KelFoY2msX |
| Name |
3-Hydroxyundecanoate |
| CAS Registry Number |
129758-71-0 |
| 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 |
216.172544630 u |
| Formula |
C12H24O3 |
| InChI |
InChI=1S/C12H24O3/c1-3-4-5-6-7-8-9-11(13)10-12(14)15-2/h11,13H,3-10H2,1-2H3 |
| InChIKey |
ODWHGFYACOPLGF-UHFFFAOYSA-N |
| Molecular Weight |
216.321 g/mol |
| Number of Peaks |
139 |
| RI2 |
1576 |
| RI4 |
1564 |
| RI5 |
1241 |
| SMILES |
OC(CC(=O)OC)CCCCCCCC |
| SPLASH |
splash10-0ukc-9500000000-724aa77b01beb1fd17b1 |
| 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, 3-hydroxy-, methyl ester
Me. 3-OH C11:0 |
| Wiley ID |
LM_LIPIDS2016_185 |
