| SpectraBase Compound ID | CeTruRIxWGh |
|---|---|
| InChI | InChI=1S/C15H8ClNO4/c16-13-10(5-3-7-17-13)14(18)21-12-8-9-4-1-2-6-11(9)20-15(12)19/h1-8H |
| InChIKey | VLNDGOGKSSCJIX-UHFFFAOYSA-N |
| Mol Weight | 301.69 g/mol |
| Molecular Formula | C15H8ClNO4 |
| Exact Mass | 301.014185 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4fwulQW5hxr |
|---|---|
| Name | 2-Chloronicotinic acid, 2-oxo-2H-chromen-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.014185438 u |
| Formula | C15H8ClNO4 |
| InChI | InChI=1S/C15H8ClNO4/c16-13-10(5-3-7-17-13)14(18)21-12-8-9-4-1-2-6-11(9)20-15(12)19/h1-8H |
| InChIKey | VLNDGOGKSSCJIX-UHFFFAOYSA-N |
| Molecular Weight | 301.685 g/mol |
| SMILES | C1=CC=C2C(=C1)OC(C(=C2)OC(C1=CC=CN=C1Cl)=O)=O |