| SpectraBase Compound ID | LHfZ8moXg8s |
|---|---|
| InChI | InChI=1S/C8H7Cl2NO2/c1-2-13-8(12)5-3-6(9)11-7(10)4-5/h3-4H,2H2,1H3 |
| InChIKey | PVPBMYSZXFNZOM-UHFFFAOYSA-N |
| Mol Weight | 220.05 g/mol |
| Molecular Formula | C8H7Cl2NO2 |
| Exact Mass | 218.985384 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1j5nSuGeIts |
|---|---|
| Name | Isonicotinic acid, 2,6-dichloro-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.985383867 u |
| Formula | C8H7Cl2NO2 |
| InChI | InChI=1S/C8H7Cl2NO2/c1-2-13-8(12)5-3-6(9)11-7(10)4-5/h3-4H,2H2,1H3 |
| InChIKey | PVPBMYSZXFNZOM-UHFFFAOYSA-N |
| Molecular Weight | 220.055 g/mol |
| SMILES | CCOC(C1=CC(Cl)=NC(=C1)Cl)=O |