| SpectraBase Compound ID | KdUoaxkmyPQ |
|---|---|
| InChI | InChI=1S/C22H38O4/c1-2-3-4-5-6-12-17-25-21(23)19-15-10-11-16-20(19)22(24)26-18-13-8-7-9-14-18/h18-20H,2-17H2,1H3 |
| InChIKey | KFPCRDLEQZNHQP-UHFFFAOYSA-N |
| Mol Weight | 366.5 g/mol |
| Molecular Formula | C22H38O4 |
| Exact Mass | 366.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EZfqiQskbDl |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, cyclohexyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.277009700 u |
| Formula | C22H38O4 |
| InChI | InChI=1S/C22H38O4/c1-2-3-4-5-6-12-17-25-21(23)19-15-10-11-16-20(19)22(24)26-18-13-8-7-9-14-18/h18-20H,2-17H2,1H3 |
| InChIKey | KFPCRDLEQZNHQP-UHFFFAOYSA-N |
| Molecular Weight | 366.542 g/mol |
| SMILES | C(C1CCCCC1C(OCCCCCCCC)=O)(=O)OC1CCCCC1 |