| SpectraBase Compound ID | Gn9TtOXfycP |
|---|---|
| InChI | InChI=1S/C17H25NO4/c1-4-5-6-7-11-21-16(19)14-9-8-10-15(18-14)17(20)22-12-13(2)3/h8-10,13H,4-7,11-12H2,1-3H3 |
| InChIKey | JWCOERBBUWTZJO-UHFFFAOYSA-N |
| Mol Weight | 307.39 g/mol |
| Molecular Formula | C17H25NO4 |
| Exact Mass | 307.178358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2eCo8oGIb40 |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, hexyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.178358285 u |
| Formula | C17H25NO4 |
| InChI | InChI=1S/C17H25NO4/c1-4-5-6-7-11-21-16(19)14-9-8-10-15(18-14)17(20)22-12-13(2)3/h8-10,13H,4-7,11-12H2,1-3H3 |
| InChIKey | JWCOERBBUWTZJO-UHFFFAOYSA-N |
| Molecular Weight | 307.390 g/mol |
| SMILES | CCCCCCOC(C=1N=C(C(OCC(C)C)=O)C=CC1)=O |