| SpectraBase Spectrum ID |
5Vmwp2X13Ym |
| Name |
Octadecyloctanoate |
| CAS Registry Number |
18312-31-7 |
| Classification |
Chemical |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
396.396730912 u |
| Formula |
C26H52O2 |
| InChI |
InChI=1S/C26H52O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-25-28-26(27)24-22-20-8-6-4-2/h3-25H2,1-2H3 |
| InChIKey |
VNLRTFSQCPNNIM-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
396.700 g/mol |
| Nominal Mass |
396 u |
| Quality |
926 |
| Retention Index |
2792 |
| SMILES |
C(OCCCCCCCCCCCCCCCCCC)(CCCCCCC)=O |
| SPLASH |
splash10-052b-9700000000-efd5b9ee54b8d1a5fef7 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Octanoic acid,octadecyl ester
Octanoic acid octadecyl ester |
| Technique |
GC/MS |
| Wiley ID |
DD2024_029787 |
