| SpectraBase Compound ID | 6w0Ff2nmtK5 |
|---|---|
| InChI | InChI=1S/C21H33NO4/c1-4-5-6-7-8-9-10-11-15-25-20(23)18-13-12-14-19(22-18)21(24)26-16-17(2)3/h12-14,17H,4-11,15-16H2,1-3H3 |
| InChIKey | FDLWQPLXEQGGRH-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 | ITatXPHwyVl |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, decyl isobutyl 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/c1-4-5-6-7-8-9-10-11-15-25-20(23)18-13-12-14-19(22-18)21(24)26-16-17(2)3/h12-14,17H,4-11,15-16H2,1-3H3 |
| InChIKey | FDLWQPLXEQGGRH-UHFFFAOYSA-N |
| Molecular Weight | 363.498 g/mol |
| SMILES | CCCCCCCCCCOC(C=1N=C(C(OCC(C)C)=O)C=CC1)=O |