| SpectraBase Compound ID | 5weW61u2oS7 |
|---|---|
| InChI | InChI=1S/C20H36O5/c1-3-5-6-7-8-11-14-24-19(21)17-12-9-10-13-18(17)20(22)25-16-15-23-4-2/h17-18H,3-16H2,1-2H3 |
| InChIKey | ZBOOSQLTKNKYFY-UHFFFAOYSA-N |
| Mol Weight | 356.5 g/mol |
| Molecular Formula | C20H36O5 |
| Exact Mass | 356.256274 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 | 1urcjV0ofjh |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, 2-ethoxyethyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.256274254 u |
| Formula | C20H36O5 |
| InChI | InChI=1S/C20H36O5/c1-3-5-6-7-8-11-14-24-19(21)17-12-9-10-13-18(17)20(22)25-16-15-23-4-2/h17-18H,3-16H2,1-2H3 |
| InChIKey | ZBOOSQLTKNKYFY-UHFFFAOYSA-N |
| Molecular Weight | 356.503 g/mol |
| SMILES | C(OC(C1CCCCC1C(OCCCCCCCC)=O)=O)COCC |