| SpectraBase Spectrum ID |
6vhR8OAWXn2 |
| Name |
Terephthalic acid, 3-hexyl octyl 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/c1-4-7-8-9-10-11-17-25-21(23)18-13-15-19(16-14-18)22(24)26-20(6-3)12-5-2/h13-16,20H,4-12,17H2,1-3H3 |
| InChIKey |
WZWBTRRCGLXDIL-UHFFFAOYSA-N |
| Molecular Weight |
362.510 g/mol |
| SMILES |
C1=CC(=CC=C1C(OCCCCCCCC)=O)C(OC(CCC)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.861914 |
