| SpectraBase Spectrum ID |
8rqi1KMhPHg |
| Name |
Terephthalic acid, isohexyl 4-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/c1-5-7-11-20(9-6-2)26-22(24)19-14-12-18(13-15-19)21(23)25-16-8-10-17(3)4/h12-15,17,20H,5-11,16H2,1-4H3 |
| InChIKey |
LTNLBCOPKOTUJW-UHFFFAOYSA-N |
| Molecular Weight |
362.510 g/mol |
| SMILES |
C1=CC(=CC=C1C(OC(CCCC)CCC)=O)C(OCCCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951331 |
