| SpectraBase Compound ID | BgKoUWTUi2c |
|---|---|
| InChI | InChI=1S/C9H6FNO/c10-8-3-1-7(2-4-8)9-5-6-11-12-9/h1-6H |
| InChIKey | JZCBQTRPILCIBC-UHFFFAOYSA-N |
| Mol Weight | 163.15 g/mol |
| Molecular Formula | C9H6FNO |
| Exact Mass | 163.043342 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CXyfvwBAH4i |
|---|---|
| Name | 5-(4-Fluorophenyl)isoxazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 163.043341979 u |
| Formula | C9H6FNO |
| InChI | InChI=1S/C9H6FNO/c10-8-3-1-7(2-4-8)9-5-6-11-12-9/h1-6H |
| InChIKey | JZCBQTRPILCIBC-UHFFFAOYSA-N |
| Molecular Weight | 163.151 g/mol |
| SMILES | C1=C(C=CC(=C1)F)C1=CC=NO1 |