| SpectraBase Spectrum ID |
A9PgJzhzST7 |
| Name |
Octadecanoic acid, 1,3-propanediyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
608.574360923 u |
| Formula |
C39H76O4 |
| InChI |
InChI=1S/C39H76O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-38(40)42-36-33-37-43-39(41)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-37H2,1-2H3 |
| InChIKey |
UFASAALQMYZBEM-UHFFFAOYSA-N |
| Molecular Weight |
609.033 g/mol |
| SMILES |
C(COC(CCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926277 |
