| SpectraBase Compound ID | KCamgNHm7q2 |
|---|---|
| InChI | InChI=1S/C10H6F4N2/c11-7-3-1-6(2-4-7)8-5-9(16-15-8)10(12,13)14/h1-5H,(H,15,16) |
| InChIKey | NDVPIRBTOQYYHD-UHFFFAOYSA-N |
| Mol Weight | 230.17 g/mol |
| Molecular Formula | C10H6F4N2 |
| Exact Mass | 230.046711 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8xEXABoVVbr |
|---|---|
| Name | 3-(4-Fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.046710853 u |
| Formula | C10H6F4N2 |
| InChI | InChI=1S/C10H6F4N2/c11-7-3-1-6(2-4-7)8-5-9(16-15-8)10(12,13)14/h1-5H,(H,15,16) |
| InChIKey | NDVPIRBTOQYYHD-UHFFFAOYSA-N |
| Molecular Weight | 230.166 g/mol |
| SMILES | N1C(=CC(=N1)C1=CC=C(C=C1)F)C(F)(F)F |