| SpectraBase Spectrum ID |
DnO1fMluB2e |
| Name |
1,3-Dicaprin |
| CAS Registry Number |
17598-93-5 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
400.318874512 u |
| Formula |
C23H44O5 |
| InChI |
InChI=1S/C23H44O5/c1-3-5-7-9-11-13-15-17-22(25)27-19-21(24)20-28-23(26)18-16-14-12-10-8-6-4-2/h21,24H,3-20H2,1-2H3 |
| InChIKey |
BPYWNJQNVNYQSQ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
400.600 g/mol |
| Nominal Mass |
400 u |
| Quality |
999 |
| Retention Index |
2797 |
| SMILES |
OC(COC(CCCCCCCCC)=O)COC(CCCCCCCCC)=O |
| SPLASH |
splash10-0a4i-9740000000-dc04a262accecc6101e8 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Bis(decanoyloxy)glycerol
1,2,3-Propanetriol-1,3-didecanoate
3-(Decanoyloxy)-2-hydroxypropyl decanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_023824 |
