| SpectraBase Spectrum ID |
16pAHLL7rZQ |
| Name |
Terephthalic acid, 3,4-dimethylphenyl isobutyl 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/c1-13(2)12-23-19(21)16-6-8-17(9-7-16)20(22)24-18-10-5-14(3)15(4)11-18/h5-11,13H,12H2,1-4H3 |
| InChIKey |
AFSYBVVKJKUSCM-UHFFFAOYSA-N |
| Molecular Weight |
326.392 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OCC(C)C)=O)C(OC1=CC=C(C(=C1)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.897742 |
