| SpectraBase Compound ID | Kfl5SSqgUeq |
|---|---|
| InChI | InChI=1S/C22H40O4/c1-5-7-8-9-10-13-16-25-21(23)18-14-11-12-15-19(18)22(24)26-20(6-2)17(3)4/h17-20H,5-16H2,1-4H3 |
| InChIKey | RERMIMVIRVCJOM-UHFFFAOYSA-N |
| Mol Weight | 368.6 g/mol |
| Molecular Formula | C22H40O4 |
| Exact Mass | 368.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FETIHJSbO8y |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, 2-methylpent-3-yl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.292659764 u |
| Formula | C22H40O4 |
| InChI | InChI=1S/C22H40O4/c1-5-7-8-9-10-13-16-25-21(23)18-14-11-12-15-19(18)22(24)26-20(6-2)17(3)4/h17-20H,5-16H2,1-4H3 |
| InChIKey | RERMIMVIRVCJOM-UHFFFAOYSA-N |
| Molecular Weight | 368.558 g/mol |
| SMILES | C(C1CCCCC1C(OCCCCCCCC)=O)(=O)OC(C(C)C)CC |