| SpectraBase Spectrum ID |
9Usfvj2qvpF |
| Name |
1,2-Cyclohexanedicarboxylic acid, 3-methylbut-2-yl 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/c1-5-6-7-8-9-12-15-24-20(22)18-13-10-11-14-19(18)21(23)25-17(4)16(2)3/h16-19H,5-15H2,1-4H3 |
| InChIKey |
OLUQIVPWVYRHSU-UHFFFAOYSA-N |
| Molecular Weight |
354.531 g/mol |
| SMILES |
CCCCCCCCOC(C1CCCCC1C(=O)OC(C(C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.862695 |
