| SpectraBase Compound ID | KoEuXlgQ63N |
|---|---|
| InChI | InChI=1S/C21H33NO4/c1-3-5-7-8-9-10-12-17-26-21(24)19-15-13-14-18(22-19)20(23)25-16-11-6-4-2/h13-15H,3-12,16-17H2,1-2H3 |
| InChIKey | WPCBXPUIBATEKC-UHFFFAOYSA-N |
| Mol Weight | 363.5 g/mol |
| Molecular Formula | C21H33NO4 |
| Exact Mass | 363.240959 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AKt0hbUI1qS |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, nonyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 363.240958543 u |
| Formula | C21H33NO4 |
| InChI | InChI=1S/C21H33NO4/c1-3-5-7-8-9-10-12-17-26-21(24)19-15-13-14-18(22-19)20(23)25-16-11-6-4-2/h13-15H,3-12,16-17H2,1-2H3 |
| InChIKey | WPCBXPUIBATEKC-UHFFFAOYSA-N |
| Molecular Weight | 363.498 g/mol |
| SMILES | CCCCCCCCCOC(C=1N=C(C(OCCCCC)=O)C=CC1)=O |