| SpectraBase Spectrum ID |
EuQNyCF41Qz |
| Name |
1,2-Cyclohexanedicarboxylic acid, 2-cyclohexylethyl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.261359635 u |
| Formula |
C21H36O4 |
| InChI |
InChI=1S/C21H36O4/c1-2-3-9-15-24-20(22)18-12-7-8-13-19(18)21(23)25-16-14-17-10-5-4-6-11-17/h17-19H,2-16H2,1H3 |
| InChIKey |
MWJWABNRDZWNJJ-UHFFFAOYSA-N |
| Molecular Weight |
352.515 g/mol |
| SMILES |
CCCCCOC(C1C(C(=O)OCCC2CCCCC2)CCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970265 |
