| SpectraBase Spectrum ID |
87rngzJlh11 |
| Name |
Petroselinate |
| CAS Registry Number |
2777-58-4 |
| 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 |
296.271530397 u |
| Formula |
C19H36O2 |
| InChI |
InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h13-14H,3-12,15-18H2,1-2H3/b14-13- |
| InChIKey |
QRTVDKVXAFJVRU-YPKPFQOOSA-N |
| Molecular Weight |
296.495 g/mol |
| Number of Peaks |
233 |
| RI2 |
1812 |
| RI4 |
2098 |
| RI5 |
1775 |
| SMILES |
C(CCCC\C=C/CCCCCCCCCCC)(=O)OC |
| SPLASH |
splash10-053v-9200000000-6ba7bc76e269b81315d4 |
| 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 |
6-Octadecenoic acid, methyl ester, (Z)
Me. C18:1n12 |
| Wiley ID |
LM_LIPIDS2016_85 |
