| SpectraBase Compound ID | 49vzZJscPj2 |
|---|---|
| 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 |
| Mol Weight | 352.5 g/mol |
| Molecular Formula | C21H36O4 |
| Exact Mass | 352.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | A4q36VyPHFG |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, 2-cyclohexylethyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| 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 |