| SpectraBase Compound ID | Hogqxc2uF6o |
|---|---|
| InChI | InChI=1S/C19H29NO4/c1-3-5-7-8-10-15-24-19(22)17-13-11-12-16(20-17)18(21)23-14-9-6-4-2/h11-13H,3-10,14-15H2,1-2H3 |
| InChIKey | ATEOYWBZSGXIQN-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 | Fzs0IP9A12N |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, heptyl pentyl 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/c1-3-5-7-8-10-15-24-19(22)17-13-11-12-16(20-17)18(21)23-14-9-6-4-2/h11-13H,3-10,14-15H2,1-2H3 |
| InChIKey | ATEOYWBZSGXIQN-UHFFFAOYSA-N |
| Molecular Weight | 335.444 g/mol |
| SMILES | CCCCCCCOC(C=1N=C(C(OCCCCC)=O)C=CC1)=O |