| SpectraBase Spectrum ID |
5DmEm5sMt13 |
| Name |
Undecanoate |
| CAS Registry Number |
1731-86-8 |
| 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 |
200.177630011 u |
| Formula |
C12H24O2 |
| InChI |
InChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3-11H2,1-2H3 |
| InChIKey |
XPQPWPZFBULGKT-UHFFFAOYSA-N |
| Molecular Weight |
200.322 g/mol |
| Number of Peaks |
50 |
| RI1 |
1410 |
| RI2 |
1100 |
| RI4 |
1423 |
| RI5 |
1100 |
| SMILES |
C(CCCCCCCCCC)(=O)OC |
| SPLASH |
splash10-00dl-9100000000-da29ac012ad10affc7aa |
| 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, methyl ester
Me. C11:0 |
| Wiley ID |
LM_LIPIDS2016_46 |
