| SpectraBase Spectrum ID |
HJgb3SHoBb |
| Name |
Terephthalic acid, butyl 3,5-dimethylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.151809184 u |
| Formula |
C20H22O4 |
| InChI |
InChI=1S/C20H22O4/c1-4-5-10-23-19(21)16-6-8-17(9-7-16)20(22)24-18-12-14(2)11-15(3)13-18/h6-9,11-13H,4-5,10H2,1-3H3 |
| InChIKey |
JOUJJRHEYSVCFF-UHFFFAOYSA-N |
| Molecular Weight |
326.392 g/mol |
| SMILES |
C1=C(C=CC(=C1)C(OCCCC)=O)C(OC1=CC(C)=CC(=C1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.860928 |
