| SpectraBase Compound ID | 7cITeje8hyM |
|---|---|
| InChI | InChI=1S/C18H15ClN2O2/c1-11-7-9-13(10-8-11)20-18(22)16-12(2)23-21-17(16)14-5-3-4-6-15(14)19/h3-10H,1-2H3,(H,20,22) |
| InChIKey | CXIMXTHSYGUTQJ-UHFFFAOYSA-N |
| Mol Weight | 326.78 g/mol |
| Molecular Formula | C18H15ClN2O2 |
| Exact Mass | 326.082205 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J5in7DAjolz |
|---|---|
| Name | 3-(2-Chlorophenyl)-5-methyl-N-(4-methylphenyl)-4-isoxazolecarboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.082205429 u |
| Formula | C18H15ClN2O2 |
| InChI | InChI=1S/C18H15ClN2O2/c1-11-7-9-13(10-8-11)20-18(22)16-12(2)23-21-17(16)14-5-3-4-6-15(14)19/h3-10H,1-2H3,(H,20,22) |
| InChIKey | CXIMXTHSYGUTQJ-UHFFFAOYSA-N |
| SMILES | N(C(C=1C(=NOC1C)C=1C(Cl)=CC=CC1)=O)C1=CC=C(C=C1)C |