| SpectraBase Spectrum ID |
7S5usFuyjif |
| Name |
Terephthalic acid, di(2,4,4-trimethylpentyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
390.277009700 u |
| Formula |
C24H38O4 |
| InChI |
InChI=1S/C24H38O4/c1-17(13-23(3,4)5)15-27-21(25)19-9-11-20(12-10-19)22(26)28-16-18(2)14-24(6,7)8/h9-12,17-18H,13-16H2,1-8H3 |
| InChIKey |
WEMQQGBLMUDXIC-UHFFFAOYSA-N |
| Molecular Weight |
390.564 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OCC(CC(C)(C)C)C)=O)C(=O)OCC(CC(C)(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.973044 |
