| SpectraBase Spectrum ID |
AfylXGPS3gL |
| Name |
Santalbate |
| CAS Registry Number |
34724-42-0 |
| 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 |
292.240230268 u |
| Formula |
C19H32O2 |
| InChI |
InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h8-9H,3-7,12-18H2,1-2H3/b9-8+ |
| InChIKey |
QMZUILXAAOEXNR-CMDGGOBGSA-N |
| Molecular Weight |
292.463 g/mol |
| Number of Peaks |
213 |
| RI2 |
2162 |
| RI4 |
2222 |
| RI5 |
1896 |
| SMILES |
C(CCCCCCCC#C\C=C\CCCCCC)(=O)OC |
| SPLASH |
splash10-005c-9300000000-5c21c0768f0e043c950e |
| 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 |
11-Octadecen-9-ynoic acid, methyl ester, (11E) |
| Wiley ID |
LM_LIPIDS2016_210 |
