| SpectraBase Compound ID | 3X0Dx1ky1Ve |
|---|---|
| InChI | InChI=1S/C17H14FN3O/c1-12(22)19-17-11-16(13-5-3-2-4-6-13)20-21(17)15-9-7-14(18)8-10-15/h2-11H,1H3,(H,19,22) |
| InChIKey | HUDXJDOIKNBXQY-UHFFFAOYSA-N |
| Mol Weight | 295.32 g/mol |
| Molecular Formula | C17H14FN3O |
| Exact Mass | 295.11209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KjKZtPRv2H6 |
|---|---|
| Name | 1-(4-Fluorophenyl)-3-phenyl-1H-pyrazol-5-amine, N-acetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 295.112090245 u |
| Formula | C17H14FN3O |
| InChI | InChI=1S/C17H14FN3O/c1-12(22)19-17-11-16(13-5-3-2-4-6-13)20-21(17)15-9-7-14(18)8-10-15/h2-11H,1H3,(H,19,22) |
| InChIKey | HUDXJDOIKNBXQY-UHFFFAOYSA-N |
| Molecular Weight | 295.317 g/mol |
| SMILES | C=1(NC(C)=O)N(N=C(C1)C1=CC=CC=C1)C1=CC=C(C=C1)F |