| SpectraBase Spectrum ID |
KksAZWKbOvK |
| Name |
Stearic acid, 3-(octadecyloxy)propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
594.595096369 u |
| Formula |
C39H78O3 |
| InChI |
InChI=1S/C39H78O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-41-37-34-38-42-39(40)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-38H2,1-2H3 |
| InChIKey |
UEPBHZUOSOIJFU-UHFFFAOYSA-N |
| Molecular Weight |
595.050 g/mol |
| SMILES |
C(OCCCOCCCCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.828039 |
