| SpectraBase Compound ID | KD7V3KoIPUk |
|---|---|
| InChI | InChI=1S/C15H21NO4/c1-5-9-19-13(17)11-7-6-8-12(16-11)14(18)20-10-15(2,3)4/h6-8H,5,9-10H2,1-4H3 |
| InChIKey | HCJPFIFUGUFGFO-UHFFFAOYSA-N |
| Mol Weight | 279.34 g/mol |
| Molecular Formula | C15H21NO4 |
| Exact Mass | 279.147058 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | APHFeWUEfhD |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, neopentyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.147058156 u |
| Formula | C15H21NO4 |
| InChI | InChI=1S/C15H21NO4/c1-5-9-19-13(17)11-7-6-8-12(16-11)14(18)20-10-15(2,3)4/h6-8H,5,9-10H2,1-4H3 |
| InChIKey | HCJPFIFUGUFGFO-UHFFFAOYSA-N |
| Molecular Weight | 279.336 g/mol |
| SMILES | CCCOC(C=1N=C(C(OCC(C)(C)C)=O)C=CC1)=O |