| SpectraBase Spectrum ID |
7XPCJNpooke |
| Name |
Terephthalic acid, ethyl 3-methylbutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
264.136159120 u |
| Formula |
C15H20O4 |
| InChI |
InChI=1S/C15H20O4/c1-4-18-14(16)12-5-7-13(8-6-12)15(17)19-10-9-11(2)3/h5-8,11H,4,9-10H2,1-3H3 |
| InChIKey |
FLVJSQFZKYTYOI-UHFFFAOYSA-N |
| Molecular Weight |
264.321 g/mol |
| SMILES |
C1=C(C=CC(=C1)C(OCCC(C)C)=O)C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.883985 |
