| SpectraBase Compound ID | HniQuiHrDxQ |
|---|---|
| InChI | InChI=1S/C19H29NO4/c1-4-5-6-7-8-13-23-18(21)16-10-9-11-17(20-16)19(22)24-14-12-15(2)3/h9-11,15H,4-8,12-14H2,1-3H3 |
| InChIKey | YSQNASADXWUWHD-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 | F1KJDq0ASMp |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, heptyl 3-methylbutyl 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/c1-4-5-6-7-8-13-23-18(21)16-10-9-11-17(20-16)19(22)24-14-12-15(2)3/h9-11,15H,4-8,12-14H2,1-3H3 |
| InChIKey | YSQNASADXWUWHD-UHFFFAOYSA-N |
| Molecular Weight | 335.444 g/mol |
| SMILES | CCCCCCCOC(C=1N=C(C(OCCC(C)C)=O)C=CC1)=O |