| SpectraBase Spectrum ID |
9Xpb6qFSQja |
| Name |
Terephthalic acid, butyl 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 |
360.230059506 u |
| Formula |
C22H32O4 |
| InChI |
InChI=1S/C22H32O4/c1-5-6-15-25-20(23)16-7-9-17(10-8-16)21(24)26-19-13-11-18(12-14-19)22(2,3)4/h7-10,18-19H,5-6,11-15H2,1-4H3 |
| InChIKey |
LFEXJJUGBZUCDC-UHFFFAOYSA-N |
| Molecular Weight |
360.494 g/mol |
| SMILES |
C(C1=CC=C(C=C1)C(OCCCC)=O)(OC1CCC(CC1)C(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970926 |
