| SpectraBase Compound ID | G64qyvyS8VB |
|---|---|
| InChI | InChI=1S/C17H25NO4/c1-5-8-12(3)21-16(19)14-10-7-11-15(18-14)17(20)22-13(4)9-6-2/h7,10-13H,5-6,8-9H2,1-4H3 |
| InChIKey | YQTJUERRTARQIW-UHFFFAOYSA-N |
| Mol Weight | 307.39 g/mol |
| Molecular Formula | C17H25NO4 |
| Exact Mass | 307.178358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GNI1gpZ9TJY |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, di(2-pentyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.178358285 u |
| Formula | C17H25NO4 |
| InChI | InChI=1S/C17H25NO4/c1-5-8-12(3)21-16(19)14-10-7-11-15(18-14)17(20)22-13(4)9-6-2/h7,10-13H,5-6,8-9H2,1-4H3 |
| InChIKey | YQTJUERRTARQIW-UHFFFAOYSA-N |
| Molecular Weight | 307.390 g/mol |
| SMILES | CC(OC(C1=NC(C(OC(CCC)C)=O)=CC=C1)=O)CCC |