| SpectraBase Compound ID | DFybAYqBWXy |
|---|---|
| InChI | InChI=1S/C20H31NO4/c1-3-5-7-8-9-10-11-16-25-20(23)18-14-12-13-17(21-18)19(22)24-15-6-4-2/h12-14H,3-11,15-16H2,1-2H3 |
| InChIKey | AFKKODBWZMOKHK-UHFFFAOYSA-N |
| Mol Weight | 349.47 g/mol |
| Molecular Formula | C20H31NO4 |
| Exact Mass | 349.225308 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IVQhygY8nVR |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, butyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 349.225308478 u |
| Formula | C20H31NO4 |
| InChI | InChI=1S/C20H31NO4/c1-3-5-7-8-9-10-11-16-25-20(23)18-14-12-13-17(21-18)19(22)24-15-6-4-2/h12-14H,3-11,15-16H2,1-2H3 |
| InChIKey | AFKKODBWZMOKHK-UHFFFAOYSA-N |
| Molecular Weight | 349.471 g/mol |
| SMILES | CCCCOC(C=1N=C(C(OCCCCCCCCC)=O)C=CC1)=O |