| SpectraBase Spectrum ID |
8LWIhTIBuTF |
| Name |
1,2-Dicaprin |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. 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)27-20-21(19-24)28-23(26)18-16-14-12-10-8-6-4-2/h21,24H,3-20H2,1-2H3 |
| InChIKey |
GNSDEDOVXZDMKM-UHFFFAOYSA-N |
| Molecular Weight |
400.600 g/mol |
| SMILES |
C(COC(CCCCCCCCC)=O)(CO)OC(CCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974544 |
