| SpectraBase Compound ID | BKjgLSTey2D |
|---|---|
| InChI | InChI=1S/C12H4BrF5N2O/c13-4-1-2-5(19-3-4)20-12(21)6-7(14)9(16)11(18)10(17)8(6)15/h1-3H,(H,19,20,21) |
| InChIKey | QTGDSVOYMXTIIT-UHFFFAOYSA-N |
| Mol Weight | 367.07 g/mol |
| Molecular Formula | C12H4BrF5N2O |
| Exact Mass | 365.942717 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8RQ8XHiPzti |
|---|---|
| Name | N-(5-Bromo-2-pyridinyl)-2,3,4,5,6-pentafluorobenzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 365.942716571 u |
| Formula | C12H4BrF5N2O |
| InChI | InChI=1S/C12H4BrF5N2O/c13-4-1-2-5(19-3-4)20-12(21)6-7(14)9(16)11(18)10(17)8(6)15/h1-3H,(H,19,20,21) |
| InChIKey | QTGDSVOYMXTIIT-UHFFFAOYSA-N |
| Molecular Weight | 367.073 g/mol |
| SMILES | N(C=1N=CC(Br)=CC1)C(C1=C(C(F)=C(C(=C1F)F)F)F)=O |