| SpectraBase Compound ID | Lhr9iD3TyYK |
|---|---|
| InChI | InChI=1S/C16H23NO4/c1-3-5-7-12-21-16(19)14-10-8-9-13(17-14)15(18)20-11-6-4-2/h8-10H,3-7,11-12H2,1-2H3 |
| InChIKey | KXKDPRAVUVLEGZ-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 | C4CrWy4tIfK |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, butyl pentyl 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/c1-3-5-7-12-21-16(19)14-10-8-9-13(17-14)15(18)20-11-6-4-2/h8-10H,3-7,11-12H2,1-2H3 |
| InChIKey | KXKDPRAVUVLEGZ-UHFFFAOYSA-N |
| SMILES | CCCCOC(C=1N=C(C(OCCCCC)=O)C=CC1)=O |