| SpectraBase Spectrum ID |
EnLb8ujIKyD |
| Name |
Terephthalic acid, hexyl 3-methylbenzyl 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/c1-3-4-5-6-14-25-21(23)19-10-12-20(13-11-19)22(24)26-16-18-9-7-8-17(2)15-18/h7-13,15H,3-6,14,16H2,1-2H3 |
| InChIKey |
ALPFXKJFPPTYSN-UHFFFAOYSA-N |
| Molecular Weight |
354.446 g/mol |
| SMILES |
C1=CC(=CC=C1C(OCC1=CC(=CC=C1)C)=O)C(OCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927637 |
