| SpectraBase Compound ID | 5VOIpAU7MdS |
|---|---|
| InChI | InChI=1S/C19H29NO4/c1-5-7-10-15(9-6-2)24-19(22)17-12-8-11-16(20-17)18(21)23-13-14(3)4/h8,11-12,14-15H,5-7,9-10,13H2,1-4H3 |
| InChIKey | SAEHMDWSNKUZPF-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 | A8aIubJsK3z |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, isobutyl 4-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/c1-5-7-10-15(9-6-2)24-19(22)17-12-8-11-16(20-17)18(21)23-13-14(3)4/h8,11-12,14-15H,5-7,9-10,13H2,1-4H3 |
| InChIKey | SAEHMDWSNKUZPF-UHFFFAOYSA-N |
| Molecular Weight | 335.444 g/mol |
| SMILES | CCCC(OC(C1=NC(C(OCC(C)C)=O)=CC=C1)=O)CCCC |