| SpectraBase Spectrum ID |
9GEAWCXAHoL |
| Name |
1,2,4-Benzenetricarboxylic acid, tris(decyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
630.485939839 u |
| Formula |
C39H66O6 |
| InChI |
InChI=1S/C39H66O6/c1-4-7-10-13-16-19-22-25-30-43-37(40)34-28-29-35(38(41)44-31-26-23-20-17-14-11-8-5-2)36(33-34)39(42)45-32-27-24-21-18-15-12-9-6-3/h28-29,33H,4-27,30-32H2,1-3H3 |
| InChIKey |
SMYKBXMWXCZOLU-UHFFFAOYSA-N |
| Molecular Weight |
630.951 g/mol |
| SMILES |
CCCCCCCCCCOC(=O)C1=CC=C(C(=O)OCCCCCCCCCC)C(=C1)C(=O)OCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932111 |
