| SpectraBase Compound ID | 1mehOf7Uwcm |
|---|---|
| InChI | InChI=1S/C17H16ClNO4/c1-2-10-22-16(20)14-4-3-5-15(19-14)17(21)23-11-12-6-8-13(18)9-7-12/h3-9H,2,10-11H2,1H3 |
| InChIKey | OXYAIBJUIVZDGH-UHFFFAOYSA-N |
| Mol Weight | 333.77 g/mol |
| Molecular Formula | C17H16ClNO4 |
| Exact Mass | 333.076786 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FH7rFi9HtK0 |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, 4-chlorobenzyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.076785695 u |
| Formula | C17H16ClNO4 |
| InChI | InChI=1S/C17H16ClNO4/c1-2-10-22-16(20)14-4-3-5-15(19-14)17(21)23-11-12-6-8-13(18)9-7-12/h3-9H,2,10-11H2,1H3 |
| InChIKey | OXYAIBJUIVZDGH-UHFFFAOYSA-N |
| Molecular Weight | 333.771 g/mol |
| SMILES | CCCOC(C=1N=C(C(OCC2=CC=C(C=C2)Cl)=O)C=CC1)=O |