| SpectraBase Compound ID | JxNdQxGpuDT |
|---|---|
| InChI | InChI=1S/C23H42O4/c1-3-5-7-9-10-11-15-19-27-23(25)21-17-13-12-16-20(21)22(24)26-18-14-8-6-4-2/h20-21H,3-19H2,1-2H3 |
| InChIKey | ABPRMXZKKYSXAL-UHFFFAOYSA-N |
| Mol Weight | 382.6 g/mol |
| Molecular Formula | C23H42O4 |
| Exact Mass | 382.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CmKGBgeGjKw |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, hexyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 382.308309828 u |
| Formula | C23H42O4 |
| InChI | InChI=1S/C23H42O4/c1-3-5-7-9-10-11-15-19-27-23(25)21-17-13-12-16-20(21)22(24)26-18-14-8-6-4-2/h20-21H,3-19H2,1-2H3 |
| InChIKey | ABPRMXZKKYSXAL-UHFFFAOYSA-N |
| Molecular Weight | 382.585 g/mol |
| SMILES | C(C1CCCCC1C(OCCCCCCCCC)=O)(=O)OCCCCCC |