| SpectraBase Compound ID | 6ynXHn4pmg |
|---|---|
| InChI | InChI=1S/C21H33NO4/c1-3-5-7-9-11-16-25-20(23)18-14-13-15-19(22-18)21(24)26-17-12-10-8-6-4-2/h13-15H,3-12,16-17H2,1-2H3 |
| InChIKey | KRMYNURDRUJUKE-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 | 6SDKIt6sfRg |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, diheptyl 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/c1-3-5-7-9-11-16-25-20(23)18-14-13-15-19(22-18)21(24)26-17-12-10-8-6-4-2/h13-15H,3-12,16-17H2,1-2H3 |
| InChIKey | KRMYNURDRUJUKE-UHFFFAOYSA-N |
| Molecular Weight | 363.498 g/mol |
| SMILES | CCCCCCCOC(C=1N=C(C(OCCCCCCC)=O)C=CC1)=O |