| SpectraBase Compound ID | CVyKiXdJ6Vx |
|---|---|
| InChI | InChI=1S/C19H29NO4/c1-4-6-7-8-13-23-18(21)16-11-9-12-17(20-16)19(22)24-14-15(3)10-5-2/h9,11-12,15H,4-8,10,13-14H2,1-3H3 |
| InChIKey | KVCKVLMQPMEAQI-UHFFFAOYSA-N |
| Mol Weight | 335.44 g/mol |
| Molecular Formula | C19H29NO4 |
| Exact Mass | 335.209658 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BXtA9niy1PC |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, hexyl 2-methylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 335.209658414 u |
| Formula | C19H29NO4 |
| InChI | InChI=1S/C19H29NO4/c1-4-6-7-8-13-23-18(21)16-11-9-12-17(20-16)19(22)24-14-15(3)10-5-2/h9,11-12,15H,4-8,10,13-14H2,1-3H3 |
| InChIKey | KVCKVLMQPMEAQI-UHFFFAOYSA-N |
| Molecular Weight | 335.444 g/mol |
| SMILES | CCCCCCOC(C=1N=C(C(OCC(CCC)C)=O)C=CC1)=O |