| SpectraBase Spectrum ID |
BAyL3oQPTIf |
| Name |
Hexadecanoic acid, 2-oxo-1,3-propanediyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
566.491025220 u |
| Formula |
C35H66O5 |
| InChI |
InChI=1S/C35H66O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-31-33(36)32-40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3 |
| InChIKey |
SXRDQGZRUXYOJW-UHFFFAOYSA-N |
| Molecular Weight |
566.908 g/mol |
| SMILES |
CCCCCCCCCCCCCCCC(=O)OCC(=O)COC(=O)CCCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927536 |
