| SpectraBase Spectrum ID |
B6ly7LDbXVv |
| Name |
1,3,5-Benzenetricarboxylic acid, trioctyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
546.392039453 u |
| Formula |
C33H54O6 |
| InChI |
InChI=1S/C33H54O6/c1-4-7-10-13-16-19-22-37-31(34)28-25-29(32(35)38-23-20-17-14-11-8-5-2)27-30(26-28)33(36)39-24-21-18-15-12-9-6-3/h25-27H,4-24H2,1-3H3 |
| InChIKey |
YQMVQCLVLBAKBX-UHFFFAOYSA-N |
| Molecular Weight |
546.789 g/mol |
| SMILES |
CCCCCCCCOC(=O)C1=CC(=CC(=C1)C(=O)OCCCCCCCC)C(=O)OCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.853782 |
