| SpectraBase Spectrum ID |
EYAv4tGfCPr |
| Name |
Terephthalic acid, cis-4-tert-butylcyclohexyl isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
360.230059506 u |
| Formula |
C22H32O4 |
| InChI |
InChI=1S/C22H32O4/c1-15(2)14-25-20(23)16-6-8-17(9-7-16)21(24)26-19-12-10-18(11-13-19)22(3,4)5/h6-9,15,18-19H,10-14H2,1-5H3 |
| InChIKey |
QCOKZHHQACSDDE-UHFFFAOYSA-N |
| Molecular Weight |
360.494 g/mol |
| SMILES |
C(C1=CC=C(C=C1)C(OCC(C)C)=O)(OC1CCC(CC1)C(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963837 |
