| SpectraBase Compound ID | QitaD5sPsH |
|---|---|
| InChI | InChI=1S/C15H21NO4/c1-3-5-6-7-11-20-15(18)13-10-8-9-12(16-13)14(17)19-4-2/h8-10H,3-7,11H2,1-2H3 |
| InChIKey | FQWTXMYTQXQJKK-UHFFFAOYSA-N |
| Mol Weight | 279.34 g/mol |
| Molecular Formula | C15H21NO4 |
| Exact Mass | 279.147058 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F13LfjxRx9e |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, ethyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.147058156 u |
| Formula | C15H21NO4 |
| InChI | InChI=1S/C15H21NO4/c1-3-5-6-7-11-20-15(18)13-10-8-9-12(16-13)14(17)19-4-2/h8-10H,3-7,11H2,1-2H3 |
| InChIKey | FQWTXMYTQXQJKK-UHFFFAOYSA-N |
| Molecular Weight | 279.336 g/mol |
| SMILES | CCCCCCOC(C1=NC(=CC=C1)C(OCC)=O)=O |