| SpectraBase Compound ID | FFs4MhXpRPq |
|---|---|
| InChI | InChI=1S/C15H21NO4/c1-4-5-9-19-14(17)12-7-6-8-13(16-12)15(18)20-10-11(2)3/h6-8,11H,4-5,9-10H2,1-3H3 |
| InChIKey | VNQVWTAZGXOWHJ-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 | 3oyt4OXzKbc |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, butyl isobutyl 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/c1-4-5-9-19-14(17)12-7-6-8-13(16-12)15(18)20-10-11(2)3/h6-8,11H,4-5,9-10H2,1-3H3 |
| InChIKey | VNQVWTAZGXOWHJ-UHFFFAOYSA-N |
| Molecular Weight | 279.336 g/mol |
| SMILES | CCCCOC(C=1N=C(C(OCC(C)C)=O)C=CC1)=O |