| SpectraBase Compound ID | FDAJpylfyun |
|---|---|
| InChI | InChI=1S/C18H14FN3O/c19-13-8-10-15(11-9-13)21-17-16(7-4-12-20-17)18(23)22-14-5-2-1-3-6-14/h1-12H,(H,20,21)(H,22,23) |
| InChIKey | TYAPONJYMHROCS-UHFFFAOYSA-N |
| Mol Weight | 307.33 g/mol |
| Molecular Formula | C18H14FN3O |
| Exact Mass | 307.11209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K3NGXFchrb1 |
|---|---|
| Name | Nicotinamide, 2-(4-fluorophenylamino)-N-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.112090245 u |
| Formula | C18H14FN3O |
| InChI | InChI=1S/C18H14FN3O/c19-13-8-10-15(11-9-13)21-17-16(7-4-12-20-17)18(23)22-14-5-2-1-3-6-14/h1-12H,(H,20,21)(H,22,23) |
| InChIKey | TYAPONJYMHROCS-UHFFFAOYSA-N |
| Molecular Weight | 307.328 g/mol |
| SMILES | C(C1=C(NC2=CC=C(C=C2)F)N=CC=C1)(NC1=CC=CC=C1)=O |