| SpectraBase Compound ID | GbcZ6kUStcQ |
|---|---|
| InChI | InChI=1S/C17H14ClN3O2/c1-10-7-8-19-14(9-10)20-17(22)15-11(2)23-21-16(15)12-5-3-4-6-13(12)18/h3-9H,1-2H3,(H,19,20,22) |
| InChIKey | TURJTHAFRWQHSB-UHFFFAOYSA-N |
| Mol Weight | 327.77 g/mol |
| Molecular Formula | C17H14ClN3O2 |
| Exact Mass | 327.077454 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2ut8bohtEAk |
|---|---|
| Name | 3-(2-Chlorophenyl)-5-methyl-N-(4-methyl-2-pyridinyl)-4-isoxazolecarboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 327.077454401 u |
| Formula | C17H14ClN3O2 |
| InChI | InChI=1S/C17H14ClN3O2/c1-10-7-8-19-14(9-10)20-17(22)15-11(2)23-21-16(15)12-5-3-4-6-13(12)18/h3-9H,1-2H3,(H,19,20,22) |
| InChIKey | TURJTHAFRWQHSB-UHFFFAOYSA-N |
| SMILES | N(C(C=1C(=NOC1C)C=1C(Cl)=CC=CC1)=O)C=1N=CC=C(C1)C |