| SpectraBase Compound ID | 6pUYBwVsZbj |
|---|---|
| InChI | InChI=1S/C11H5F7N2O/c12-9(13,10(14,15)11(16,17)18)8(21)20-7-4-2-1-3-6(7)5-19/h1-4H,(H,20,21) |
| InChIKey | GIWHEIZJUUHPHE-UHFFFAOYSA-N |
| Mol Weight | 314.16 g/mol |
| Molecular Formula | C11H5F7N2O |
| Exact Mass | 314.02901 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kl0RhbBRG35 |
|---|---|
| Name | N-(2-Cyanophenyl)perfluorobutaneamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.029009929 u |
| Formula | C11H5F7N2O |
| InChI | InChI=1S/C11H5F7N2O/c12-9(13,10(14,15)11(16,17)18)8(21)20-7-4-2-1-3-6(7)5-19/h1-4H,(H,20,21) |
| InChIKey | GIWHEIZJUUHPHE-UHFFFAOYSA-N |
| Molecular Weight | 314.163 g/mol |
| SMILES | N(c1ccccc1C#N)C(=O)C(F)(F)C(C(F)(F)F)(F)F |