| SpectraBase Spectrum ID |
DvLHQ4flykr |
| Name |
Terephthalic acid, di(2-isopropylphenyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
402.183109313 u |
| Formula |
C26H26O4 |
| InChI |
InChI=1S/C26H26O4/c1-17(2)21-9-5-7-11-23(21)29-25(27)19-13-15-20(16-14-19)26(28)30-24-12-8-6-10-22(24)18(3)4/h5-18H,1-4H3 |
| InChIKey |
SUCNBGWQOZSJTP-UHFFFAOYSA-N |
| Molecular Weight |
402.490 g/mol |
| SMILES |
CC(C)C1=CC=CC=C1OC(C1=CC=C(C=C1)C(OC1=CC=CC=C1C(C)C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.8699 |
