| SpectraBase Compound ID | KDSen3nXklQ |
|---|---|
| InChI | InChI=1S/C16H23NO4/c1-5-12(4)10-21-16(19)14-8-6-7-13(17-14)15(18)20-9-11(2)3/h6-8,11-12H,5,9-10H2,1-4H3 |
| InChIKey | MVDMAFNJJAXQJU-UHFFFAOYSA-N |
| Mol Weight | 293.36 g/mol |
| Molecular Formula | C16H23NO4 |
| Exact Mass | 293.162708 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B3T14M9GyzE |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, isobutyl 2-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 293.162708221 u |
| Formula | C16H23NO4 |
| InChI | InChI=1S/C16H23NO4/c1-5-12(4)10-21-16(19)14-8-6-7-13(17-14)15(18)20-9-11(2)3/h6-8,11-12H,5,9-10H2,1-4H3 |
| InChIKey | MVDMAFNJJAXQJU-UHFFFAOYSA-N |
| SMILES | CC(C)COC(C=1N=C(C(OCC(CC)C)=O)C=CC1)=O |