| SpectraBase Compound ID | 7CDWqT0Nsho |
|---|---|
| InChI | InChI=1S/C10H6F4N2O/c11-6-1-3-7(4-2-6)16-9(17)5-8(15-16)10(12,13)14/h1-5,17H |
| InChIKey | AAQODJKYJVPXLB-UHFFFAOYSA-N |
| Mol Weight | 246.16 g/mol |
| Molecular Formula | C10H6F4N2O |
| Exact Mass | 246.041625 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L0fyrZ8lCQ9 |
|---|---|
| Name | 1-(4-Fluorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.041625472 u |
| Formula | C10H6F4N2O |
| InChI | InChI=1S/C10H6F4N2O/c11-6-1-3-7(4-2-6)16-9(17)5-8(15-16)10(12,13)14/h1-5,17H |
| InChIKey | AAQODJKYJVPXLB-UHFFFAOYSA-N |
| Molecular Weight | 246.165 g/mol |
| SMILES | C(F)(F)(F)C1=NN(C(=C1)O)C1=CC=C(C=C1)F |