| SpectraBase Spectrum ID |
AusSsZUJJc0 |
| Name |
Terephthalic acid, di(cis-4-tert-butylcyclohexyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
442.308309828 u |
| Formula |
C28H42O4 |
| InChI |
InChI=1S/C28H42O4/c1-27(2,3)21-11-15-23(16-12-21)31-25(29)19-7-9-20(10-8-19)26(30)32-24-17-13-22(14-18-24)28(4,5)6/h7-10,21-24H,11-18H2,1-6H3 |
| InChIKey |
ACBMKGYMRUITDS-UHFFFAOYSA-N |
| Molecular Weight |
442.640 g/mol |
| SMILES |
C(OC1CCC(CC1)C(C)(C)C)(=O)C1=CC=C(C=C1)C(=O)OC1CCC(C(C)(C)C)CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939227 |
