| SpectraBase Compound ID | ESQV82w3ZcD |
|---|---|
| InChI | InChI=1S/C15H21NO4/c1-4-7-11(3)10-20-15(18)13-9-6-8-12(16-13)14(17)19-5-2/h6,8-9,11H,4-5,7,10H2,1-3H3 |
| InChIKey | BIVCIXIIBULAPH-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 | 1JOQ3lLmfBo |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, ethyl 2-methylpentyl 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/c1-4-7-11(3)10-20-15(18)13-9-6-8-12(16-13)14(17)19-5-2/h6,8-9,11H,4-5,7,10H2,1-3H3 |
| InChIKey | BIVCIXIIBULAPH-UHFFFAOYSA-N |
| Molecular Weight | 279.336 g/mol |
| SMILES | CCCC(COC(C1=NC(C(OCC)=O)=CC=C1)=O)C |