| SpectraBase Compound ID | 53e9y2yO5in |
|---|---|
| InChI | InChI=1S/C10H7FN2O/c11-8-3-1-7(2-4-8)10-5-9(6-12)14-13-10/h1-4,9H,5H2 |
| InChIKey | MCAQGWFDFHCMPC-UHFFFAOYSA-N |
| Mol Weight | 190.18 g/mol |
| Molecular Formula | C10H7FN2O |
| Exact Mass | 190.054241 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GVUVmDGySaI |
|---|---|
| Name | 3-(4-Fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.054241015 u |
| Formula | C10H7FN2O |
| InChI | InChI=1S/C10H7FN2O/c11-8-3-1-7(2-4-8)10-5-9(6-12)14-13-10/h1-4,9H,5H2 |
| InChIKey | MCAQGWFDFHCMPC-UHFFFAOYSA-N |
| Molecular Weight | 190.177 g/mol |
| SMILES | C(#N)C1CC(C2=CC=C(C=C2)F)=NO1 |