| SpectraBase Compound ID | LJClQhgNTQl |
|---|---|
| InChI | InChI=1S/C21H36O4/c1-2-3-4-10-15-24-20(22)18-13-8-9-14-19(18)21(23)25-16-17-11-6-5-7-12-17/h17-19H,2-16H2,1H3 |
| InChIKey | SBPUMOMGRKKUAR-UHFFFAOYSA-N |
| Mol Weight | 352.5 g/mol |
| Molecular Formula | C21H36O4 |
| Exact Mass | 352.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8ZDe9OaTxab |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, cyclohexylmethyl hexyl 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/c1-2-3-4-10-15-24-20(22)18-13-8-9-14-19(18)21(23)25-16-17-11-6-5-7-12-17/h17-19H,2-16H2,1H3 |
| InChIKey | SBPUMOMGRKKUAR-UHFFFAOYSA-N |
| Molecular Weight | 352.515 g/mol |
| SMILES | CCCCCCOC(C1C(C(=O)OCC2CCCCC2)CCCC1)=O |