| SpectraBase Compound ID | 2LNGicYY0ID |
|---|---|
| InChI | InChI=1S/C9H6ClNO/c10-8-3-1-7(2-4-8)9-5-6-11-12-9/h1-6H |
| InChIKey | DLWSAUPFARYKDH-UHFFFAOYSA-N |
| Mol Weight | 179.61 g/mol |
| Molecular Formula | C9H6ClNO |
| Exact Mass | 179.013792 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D6tCcFEEa1T |
|---|---|
| Name | 5-(4-Chlorophenyl)isoxazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 179.013791516 u |
| Formula | C9H6ClNO |
| InChI | InChI=1S/C9H6ClNO/c10-8-3-1-7(2-4-8)9-5-6-11-12-9/h1-6H |
| InChIKey | DLWSAUPFARYKDH-UHFFFAOYSA-N |
| Molecular Weight | 179.606 g/mol |
| SMILES | C=1(ON=CC1)C=1C=CC(=CC1)Cl |