| SpectraBase Compound ID | LxdV7qZ7a7D |
|---|---|
| InChI | InChI=1S/C12H11F3N2O2/c1-8-7-11(19,12(13,14)15)17(16-8)10(18)9-5-3-2-4-6-9/h2-6,19H,7H2,1H3 |
| InChIKey | QHRPJDWDUJXQRW-UHFFFAOYSA-N |
| Mol Weight | 272.23 g/mol |
| Molecular Formula | C12H11F3N2O2 |
| Exact Mass | 272.077262 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9eRaixWJ1qv |
|---|---|
| Name | 1-Benzoyl-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.077262089 u |
| Formula | C12H11F3N2O2 |
| InChI | InChI=1S/C12H11F3N2O2/c1-8-7-11(19,12(13,14)15)17(16-8)10(18)9-5-3-2-4-6-9/h2-6,19H,7H2,1H3 |
| InChIKey | QHRPJDWDUJXQRW-UHFFFAOYSA-N |
| Molecular Weight | 272.227 g/mol |
| SMILES | OC1(N(N=C(C)C1)C(=O)C1=CC=CC=C1)C(F)(F)F |