| SpectraBase Compound ID | 6DXplyEagu |
|---|---|
| InChI | InChI=1S/C16H10ClF3N2/c17-12-8-6-11(7-9-12)15-14(16(18,19)20)10-22(21-15)13-4-2-1-3-5-13/h1-10H |
| InChIKey | WKIDXSZDMMRITD-UHFFFAOYSA-N |
| Mol Weight | 322.72 g/mol |
| Molecular Formula | C16H10ClF3N2 |
| Exact Mass | 322.048461 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 | 62yIroUY9mU |
|---|---|
| Name | 3-(4-Chlorophenyl)-1-phenyl-4-(trifluoromethyl)pyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.048460519 u |
| Formula | C16H10ClF3N2 |
| InChI | InChI=1S/C16H10ClF3N2/c17-12-8-6-11(7-9-12)15-14(16(18,19)20)10-22(21-15)13-4-2-1-3-5-13/h1-10H |
| InChIKey | WKIDXSZDMMRITD-UHFFFAOYSA-N |
| Molecular Weight | 322.718 g/mol |
| SMILES | C=1(C(=NN(C1)C1=CC=CC=C1)C=1C=CC(=CC1)Cl)C(F)(F)F |