| SpectraBase Compound ID | 1Hpefs1tkUL |
|---|---|
| InChI | InChI=1S/C13H11ClN2O2/c1-9-8-12(16-18-9)15-13(17)7-6-10-4-2-3-5-11(10)14/h2-8H,1H3,(H,15,16,17)/b7-6+ |
| InChIKey | QYADGFZZLAELGI-VOTSOKGWSA-N |
| Mol Weight | 262.7 g/mol |
| Molecular Formula | C13H11ClN2O2 |
| Exact Mass | 262.050905 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DfqRGtWx8cU |
|---|---|
| Name | (2E)-3-(2-Chlorophenyl)-N-(5-methyl-3-isoxazolyl)-2-propenamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.050905300 u |
| Formula | C13H11ClN2O2 |
| InChI | InChI=1S/C13H11ClN2O2/c1-9-8-12(16-18-9)15-13(17)7-6-10-4-2-3-5-11(10)14/h2-8H,1H3,(H,15,16,17)/b7-6+ |
| InChIKey | QYADGFZZLAELGI-VOTSOKGWSA-N |
| Molecular Weight | 262.696 g/mol |
| SMILES | N(C1=NOC(=C1)C)C(\C=C\C1=C(Cl)C=CC=C1)=O |