| SpectraBase Spectrum ID |
6QWwzxvQsl |
| Name |
Terephthalic acid, 2-ethoxyethyl hexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.178023932 u |
| Formula |
C18H26O5 |
| InChI |
InChI=1S/C18H26O5/c1-3-5-6-7-12-22-17(19)15-8-10-16(11-9-15)18(20)23-14-13-21-4-2/h8-11H,3-7,12-14H2,1-2H3 |
| InChIKey |
LXRBLDTWKHWGOG-UHFFFAOYSA-N |
| Molecular Weight |
322.401 g/mol |
| SMILES |
CCCCCCOC(=O)C1=CC=C(C=C1)C(=O)OCCOCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.895693 |
