| SpectraBase Spectrum ID |
EEN7fEERPDp |
| Name |
1,2-Cyclohexanedicarboxylic acid, 2-methylbutyl octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.277009700 u |
| Formula |
C21H38O4 |
| InChI |
InChI=1S/C21H38O4/c1-4-6-7-8-9-12-15-24-20(22)18-13-10-11-14-19(18)21(23)25-16-17(3)5-2/h17-19H,4-16H2,1-3H3 |
| InChIKey |
HFJKDRYEXHOQFZ-UHFFFAOYSA-N |
| Molecular Weight |
354.531 g/mol |
| SMILES |
CCCCCCCCOC(C1C(C(=O)OCC(CC)C)CCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952525 |
