| SpectraBase Spectrum ID |
DKBIWJ0vRRe |
| Name |
Terephthalic acid, 2-decyl tridecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
488.386560150 u |
| Formula |
C31H52O4 |
| InChI |
InChI=1S/C31H52O4/c1-4-6-8-10-12-13-14-15-16-18-20-26-34-30(32)28-22-24-29(25-23-28)31(33)35-27(3)21-19-17-11-9-7-5-2/h22-25,27H,4-21,26H2,1-3H3 |
| InChIKey |
QTHAZYUADFJTBC-UHFFFAOYSA-N |
| Molecular Weight |
488.753 g/mol |
| SMILES |
C1=CC(=CC=C1C(OCCCCCCCCCCCCC)=O)C(OC(CCCCCCCC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90157 |
