| SpectraBase Compound ID | BPv0kOjf52D |
|---|---|
| InChI | InChI=1S/C19H29NO4/c1-4-5-6-7-8-9-13-23-18(21)16-11-10-12-17(20-16)19(22)24-14-15(2)3/h10-12,15H,4-9,13-14H2,1-3H3 |
| InChIKey | FSEPOALRKNPPJN-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 | 4z8F2hSGxd5 |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, isobutyl octyl 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/c1-4-5-6-7-8-9-13-23-18(21)16-11-10-12-17(20-16)19(22)24-14-15(2)3/h10-12,15H,4-9,13-14H2,1-3H3 |
| InChIKey | FSEPOALRKNPPJN-UHFFFAOYSA-N |
| Molecular Weight | 335.444 g/mol |
| SMILES | CCCCCCCCOC(C=1N=C(C(OCC(C)C)=O)C=CC1)=O |