| SpectraBase Compound ID | GL4P53Hejxz |
|---|---|
| InChI | InChI=1S/C16H23NO4/c1-3-5-6-7-8-12-21-16(19)14-11-9-10-13(17-14)15(18)20-4-2/h9-11H,3-8,12H2,1-2H3 |
| InChIKey | LQYSCKJNVBZFOU-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 | 6yEAbTT4bHM |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, ethyl heptyl 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/c1-3-5-6-7-8-12-21-16(19)14-11-9-10-13(17-14)15(18)20-4-2/h9-11H,3-8,12H2,1-2H3 |
| InChIKey | LQYSCKJNVBZFOU-UHFFFAOYSA-N |
| SMILES | CCCCCCCOC(C1=NC(C(OCC)=O)=CC=C1)=O |