![2,6-bis[p-Chlorophenyl]isonicotinic acid](/api/spectrum/7MQSn06sIwg/structure.png?h=300&w=458 "2,6-bis[p-Chlorophenyl]isonicotinic acid")
| SpectraBase Compound ID | 5kuyt55o7l6 |
|---|---|
| InChI | InChI=1S/C18H11Cl2NO2/c19-14-5-1-11(2-6-14)16-9-13(18(22)23)10-17(21-16)12-3-7-15(20)8-4-12/h1-10H,(H,22,23) |
| InChIKey | AHXHKFWCZJASTQ-UHFFFAOYSA-N |
| Mol Weight | 344.2 g/mol |
| Molecular Formula | C18H11Cl2NO2 |
| Exact Mass | 343.016684 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7MQSn06sIwg |
|---|---|
| Name | 2,6-bis[p-Chlorophenyl]isonicotinic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 343.016683996 u |
| Formula | C18H11Cl2NO2 |
| InChI | InChI=1S/C18H11Cl2NO2/c19-14-5-1-11(2-6-14)16-9-13(18(22)23)10-17(21-16)12-3-7-15(20)8-4-12/h1-10H,(H,22,23) |
| InChIKey | AHXHKFWCZJASTQ-UHFFFAOYSA-N |
| Molecular Weight | 344.197 g/mol |
| SMILES | C1(=CC(=CC(=N1)C1=CC=C(C=C1)Cl)C(O)=O)C1=CC=C(C=C1)Cl |