| SpectraBase Compound ID | 69ZrVAPixas |
|---|---|
| InChI | InChI=1S/C9H6ClNO/c10-8-3-1-7(2-4-8)9-5-6-12-11-9/h1-6H |
| InChIKey | JEOLWVGGGFZWHS-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 | 3tM5hfufbJG |
|---|---|
| Name | 3-(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)9-5-6-12-11-9/h1-6H |
| InChIKey | JEOLWVGGGFZWHS-UHFFFAOYSA-N |
| Molecular Weight | 179.606 g/mol |
| SMILES | C1(=NOC=C1)C=1C=CC(=CC1)Cl |