| SpectraBase Compound ID | FfJfGe2axlw |
|---|---|
| InChI | InChI=1S/C11H9F3N2O/c1-7-2-4-8(5-3-7)16-10(17)6-9(15-16)11(12,13)14/h2-6,17H,1H3 |
| InChIKey | AJDUWHWJLAGRBC-UHFFFAOYSA-N |
| Mol Weight | 242.2 g/mol |
| Molecular Formula | C11H9F3N2O |
| Exact Mass | 242.066697 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IAQTlwVmTL |
|---|---|
| Name | 1H-Pyrazol-5-ol, 1-(4-methylphenyl)-3-(trifluoromethyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.066697406 u |
| Formula | C11H9F3N2O |
| InChI | InChI=1S/C11H9F3N2O/c1-7-2-4-8(5-3-7)16-10(17)6-9(15-16)11(12,13)14/h2-6,17H,1H3 |
| InChIKey | AJDUWHWJLAGRBC-UHFFFAOYSA-N |
| Molecular Weight | 242.201 g/mol |
| SMILES | OC1=CC(=NN1C=1C=CC(=CC1)C)C(F)(F)F |