| SpectraBase Spectrum ID |
9oQARUSshCB |
| Name |
Docosanoate |
| CAS Registry Number |
929-77-1 |
| 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 |
354.349780719 u |
| Formula |
C23H46O2 |
| InChI |
InChI=1S/C23H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h3-22H2,1-2H3 |
| InChIKey |
QSQLTHHMFHEFIY-UHFFFAOYSA-N |
| Molecular Weight |
354.619 g/mol |
| Number of Peaks |
50 |
| RI1 |
2530 |
| RI3 |
2200 |
| RI4 |
2164 |
| SMILES |
C(CCCCCCCCCCCCCCCCCCCCC)(=O)OC |
| SPLASH |
splash10-05g3-9100000000-17845428e333eb8bc28d |
| 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 |
Docosanoic acid, methyl ester |
| Wiley ID |
LM_FFNSC3_1829 |
