| SpectraBase Spectrum ID |
6Bjc51Yun3L |
| Name |
Terephthalic acid, isohexyl 2-phenylethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.183109313 u |
| Formula |
C22H26O4 |
| InChI |
InChI=1S/C22H26O4/c1-17(2)7-6-15-25-21(23)19-10-12-20(13-11-19)22(24)26-16-14-18-8-4-3-5-9-18/h3-5,8-13,17H,6-7,14-16H2,1-2H3 |
| InChIKey |
HBCQWIACIUYOSW-UHFFFAOYSA-N |
| Molecular Weight |
354.446 g/mol |
| SMILES |
C1=CC(=CC=C1C(OCCCC(C)C)=O)C(OCCC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936556 |
