| SpectraBase Spectrum ID |
Gx65itVpRVf |
| Name |
Terephthalic acid, 2-ethylhexyl isohexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.245709571 u |
| Formula |
C22H34O4 |
| InChI |
InChI=1S/C22H34O4/c1-5-7-10-18(6-2)16-26-22(24)20-13-11-19(12-14-20)21(23)25-15-8-9-17(3)4/h11-14,17-18H,5-10,15-16H2,1-4H3 |
| InChIKey |
VHMXLFJTJDHTPH-UHFFFAOYSA-N |
| Molecular Weight |
362.510 g/mol |
| SMILES |
C(OCCCC(C)C)(=O)C1=CC=C(C=C1)C(=O)OCC(CC)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961915 |
