| SpectraBase Compound ID | Djc83fTorKF |
|---|---|
| InChI | InChI=1S/C14H17FN2O2/c1-3-17(4-2)14(18)13-9-12(16-19-13)10-5-7-11(15)8-6-10/h5-8,13H,3-4,9H2,1-2H3 |
| InChIKey | XKYFYDJYHWRWAT-UHFFFAOYSA-N |
| Mol Weight | 264.3 g/mol |
| Molecular Formula | C14H17FN2O2 |
| Exact Mass | 264.127406 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KHPnMBY63qm |
|---|---|
| Name | 5-Isoxazolecarboxamide, N,N-diethyl-3-(4-fluorophenyl)-4,5-dihydro- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.127405956 u |
| Formula | C14H17FN2O2 |
| InChI | InChI=1S/C14H17FN2O2/c1-3-17(4-2)14(18)13-9-12(16-19-13)10-5-7-11(15)8-6-10/h5-8,13H,3-4,9H2,1-2H3 |
| InChIKey | XKYFYDJYHWRWAT-UHFFFAOYSA-N |
| Molecular Weight | 264.300 g/mol |
| SMILES | C1(C(N(CC)CC)=O)ON=C(C1)C=1C=CC(=CC1)F |