| SpectraBase Compound ID | LetCMcdcVdw |
|---|---|
| InChI | InChI=1S/C16H23NO4/c1-4-10-20-15(18)13-8-7-9-14(17-13)16(19)21-11-12(5-2)6-3/h7-9,12H,4-6,10-11H2,1-3H3 |
| InChIKey | AGKVQBKIPKEIFW-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 | FnTOlfM59AV |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, 2-ethylbutyl propyl 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/c1-4-10-20-15(18)13-8-7-9-14(17-13)16(19)21-11-12(5-2)6-3/h7-9,12H,4-6,10-11H2,1-3H3 |
| InChIKey | AGKVQBKIPKEIFW-UHFFFAOYSA-N |
| SMILES | CCCOC(C=1N=C(C(OCC(CC)CC)=O)C=CC1)=O |