| SpectraBase Compound ID | LLwJtSihPTV |
|---|---|
| InChI | InChI=1S/C14H14ClF3N2/c1-13(2,3)20-8-11(12(19-20)14(16,17)18)9-4-6-10(15)7-5-9/h4-8H,1-3H3 |
| InChIKey | UJVYABSCIITQFE-UHFFFAOYSA-N |
| Mol Weight | 302.73 g/mol |
| Molecular Formula | C14H14ClF3N2 |
| Exact Mass | 302.079761 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 | 1FbihChAZn3 |
|---|---|
| Name | 1-Tert-butyl-4-(4-chlorophenyl)-3-(trifluoromethyl)pyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.079760648 u |
| Formula | C14H14ClF3N2 |
| InChI | InChI=1S/C14H14ClF3N2/c1-13(2,3)20-8-11(12(19-20)14(16,17)18)9-4-6-10(15)7-5-9/h4-8H,1-3H3 |
| InChIKey | UJVYABSCIITQFE-UHFFFAOYSA-N |
| Molecular Weight | 302.728 g/mol |
| SMILES | C1(=NN(C(C)(C)C)C=C1C=1C=CC(=CC1)Cl)C(F)(F)F |