| SpectraBase Spectrum ID |
5QUNxn7EHIh |
| Name |
Terephthalic acid, 2-methoxybenzyl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.162373868 u |
| Formula |
C21H24O5 |
| InChI |
InChI=1S/C21H24O5/c1-3-4-7-14-25-20(22)16-10-12-17(13-11-16)21(23)26-15-18-8-5-6-9-19(18)24-2/h5-6,8-13H,3-4,7,14-15H2,1-2H3 |
| InChIKey |
FCQPBDNDBOIYHP-UHFFFAOYSA-N |
| Molecular Weight |
356.418 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OCCCCC)=O)C(=O)OCC1=CC=CC=C1OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.914091 |
