| SpectraBase Spectrum ID |
BMneIpQmRwJ |
| Name |
2-(Heptanoyloxy)propane-1,3-diyl dioctanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
456.345089260 u |
| Formula |
C26H48O6 |
| InChI |
InChI=1S/C26H48O6/c1-4-7-10-13-16-18-24(27)30-21-23(32-26(29)20-15-12-9-6-3)22-31-25(28)19-17-14-11-8-5-2/h23H,4-22H2,1-3H3 |
| InChIKey |
DGYZDFDBZWEASX-UHFFFAOYSA-N |
| Molecular Weight |
456.664 g/mol |
| SMILES |
C(C(COC(CCCCCCC)=O)OC(CCCCCC)=O)OC(CCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979751 |
