| SpectraBase Spectrum ID |
8vqUQtBKyt0 |
| Name |
Terephthalic acid, ethyl isopropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.104858991 u |
| Formula |
C13H16O4 |
| InChI |
InChI=1S/C13H16O4/c1-4-16-12(14)10-5-7-11(8-6-10)13(15)17-9(2)3/h5-9H,4H2,1-3H3 |
| InChIKey |
XXPIUCYVBSVBPO-UHFFFAOYSA-N |
| Molecular Weight |
236.267 g/mol |
| SMILES |
C(C1=CC=C(C=C1)C(OCC)=O)(OC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.854288 |
