| SpectraBase Compound ID | KId344zU25x |
|---|---|
| InChI | InChI=1S/C20H36O4/c1-3-5-7-8-12-16-24-20(22)18-14-10-9-13-17(18)19(21)23-15-11-6-4-2/h17-18H,3-16H2,1-2H3 |
| InChIKey | QDFABZWRLYBOFO-UHFFFAOYSA-N |
| Mol Weight | 340.5 g/mol |
| Molecular Formula | C20H36O4 |
| Exact Mass | 340.26136 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 | BYsvgz6287Y |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, heptyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.261359635 u |
| Formula | C20H36O4 |
| InChI | InChI=1S/C20H36O4/c1-3-5-7-8-12-16-24-20(22)18-14-10-9-13-17(18)19(21)23-15-11-6-4-2/h17-18H,3-16H2,1-2H3 |
| InChIKey | QDFABZWRLYBOFO-UHFFFAOYSA-N |
| Molecular Weight | 340.504 g/mol |
| SMILES | CCCCCCCOC(C1C(C(=O)OCCCCC)CCCC1)=O |