| SpectraBase Spectrum ID |
3tI1qTyAZGP |
| Name |
Terephthalic acid, 2-ethylhexyl nonyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
404.292659764 u |
| Formula |
C25H40O4 |
| InChI |
InChI=1S/C25H40O4/c1-4-7-9-10-11-12-13-19-28-24(26)22-15-17-23(18-16-22)25(27)29-20-21(6-3)14-8-5-2/h15-18,21H,4-14,19-20H2,1-3H3 |
| InChIKey |
RZPGQSRUIXLNMP-UHFFFAOYSA-N |
| Molecular Weight |
404.591 g/mol |
| SMILES |
CCCCCCCCCOC(=O)C1=CC=C(C=C1)C(=O)OCC(CC)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.883365 |
