| SpectraBase Compound ID | BoXQ2IKNjSI |
|---|---|
| InChI | InChI=1S/C16H14ClNO4/c1-2-21-15(19)13-4-3-5-14(18-13)16(20)22-10-11-6-8-12(17)9-7-11/h3-9H,2,10H2,1H3 |
| InChIKey | FQVJCROKXKUOBN-UHFFFAOYSA-N |
| Mol Weight | 319.74 g/mol |
| Molecular Formula | C16H14ClNO4 |
| Exact Mass | 319.061136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2zSfISBkuV |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, 4-chlorobenzyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.061135631 u |
| Formula | C16H14ClNO4 |
| InChI | InChI=1S/C16H14ClNO4/c1-2-21-15(19)13-4-3-5-14(18-13)16(20)22-10-11-6-8-12(17)9-7-11/h3-9H,2,10H2,1H3 |
| InChIKey | FQVJCROKXKUOBN-UHFFFAOYSA-N |
| Molecular Weight | 319.744 g/mol |
| SMILES | C1(=CC=C(C=C1)COC(C1=NC(C(OCC)=O)=CC=C1)=O)Cl |