| SpectraBase Spectrum ID |
2oOJMbFrG8e |
| Name |
Trioctanoin |
| CAS Registry Number |
538-23-8 |
| Classification |
Triglyceride, triacylglyceride, lipid |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
470.360739324 u |
| Formula |
C27H50O6 |
| InChI |
InChI=1S/C27H50O6/c1-4-7-10-13-16-19-25(28)31-22-24(33-27(30)21-18-15-12-9-6-3)23-32-26(29)20-17-14-11-8-5-2/h24H,4-23H2,1-3H3 |
| InChIKey |
VLPFTAMPNXLGLX-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
470.691 g/mol |
| Nominal Mass |
470 u |
| Quality |
998 |
| Retention Index |
2950 |
| SMILES |
C(OC(CCCCCCC)=O)(COC(CCCCCCC)=O)COC(CCCCCCC)=O |
| SPLASH |
splash10-004i-5911000000-05462df81375e6964eb2 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Glycerol tricaprylate
Tricaprylin
2,3-Di(octanoyloxy)propyl octanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_018374 |
