| SpectraBase Spectrum ID |
4iXHGk87KYW |
| Name |
Docosanyl tiglate |
| 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 |
408.396730912 u |
| Formula |
C27H52O2 |
| InChI |
InChI=1S/C27H52O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-27(28)26(3)5-2/h5H,4,6-25H2,1-3H3/b26-5+ |
| InChIKey |
ZBTJCBFSOLLYFO-MBAGFTIUSA-N |
| Molecular Weight |
408.711 g/mol |
| Number of Peaks |
50 |
| RI1 |
2940 |
| RI2 |
2595 |
| RI3 |
2623 |
| RI4 |
2595 |
| RI5 |
2927 |
| SMILES |
C\C(C(=O)OCCCCCCCCCCCCCCCCCCCCCC)=C/C |
| SPLASH |
splash10-0udi-8900000000-a7073349776a9304d171 |
| Sample Comments |
RI1: measured on SLB-5ms (Hydro)
RI2: measured on SLB-5ms (FAMEs)
RI3: measured on Supelcowax-10 (FAMEs)
RI4: measured on Supelcowax-10 (FAEEs)
RI5: measured on Equity-1 (Hydro) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
2-Butenoic acid, 2-methyl-, docosanyl ester, (E)- |
| Wiley ID |
LM_FFNSC3_3447 |
