| SpectraBase Compound ID | 2oh6gUYuJm9 |
|---|---|
| InChI | InChI=1S/C20H31NO4/c1-4-6-7-8-9-10-15-24-19(22)17-13-11-14-18(21-17)20(23)25-16(3)12-5-2/h11,13-14,16H,4-10,12,15H2,1-3H3 |
| InChIKey | OTTPXVYPWFFRDC-UHFFFAOYSA-N |
| Mol Weight | 349.47 g/mol |
| Molecular Formula | C20H31NO4 |
| Exact Mass | 349.225308 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KfcftGFFkme |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, octyl 2-pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 349.225308478 u |
| Formula | C20H31NO4 |
| InChI | InChI=1S/C20H31NO4/c1-4-6-7-8-9-10-15-24-19(22)17-13-11-14-18(21-17)20(23)25-16(3)12-5-2/h11,13-14,16H,4-10,12,15H2,1-3H3 |
| InChIKey | OTTPXVYPWFFRDC-UHFFFAOYSA-N |
| Molecular Weight | 349.471 g/mol |
| SMILES | CC(OC(C1=NC(C(OCCCCCCCC)=O)=CC=C1)=O)CCC |