| SpectraBase Compound ID | 9rsZhCq298i |
|---|---|
| InChI | InChI=1S/C21H33NO4/c1-3-5-6-7-8-9-10-11-12-13-17-26-21(24)19-16-14-15-18(22-19)20(23)25-4-2/h14-16H,3-13,17H2,1-2H3 |
| InChIKey | GLZWJUAGHOEINP-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 | 49DU8ZSrYmd |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, dodecyl ethyl 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/c1-3-5-6-7-8-9-10-11-12-13-17-26-21(24)19-16-14-15-18(22-19)20(23)25-4-2/h14-16H,3-13,17H2,1-2H3 |
| InChIKey | GLZWJUAGHOEINP-UHFFFAOYSA-N |
| Molecular Weight | 363.498 g/mol |
| SMILES | CCCCCCCCCCCCOC(C1=NC(C(OCC)=O)=CC=C1)=O |