| SpectraBase Compound ID | DFHWjVxPV51 |
|---|---|
| InChI | InChI=1S/C17H13F3N2O/c1-23-15-10-6-5-9-13(15)14-11-16(17(18,19)20)22(21-14)12-7-3-2-4-8-12/h2-11H,1H3 |
| InChIKey | DKOKESYBOMZWPD-UHFFFAOYSA-N |
| Mol Weight | 318.3 g/mol |
| Molecular Formula | C17H13F3N2O |
| Exact Mass | 318.097998 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6tHowvggTnz |
|---|---|
| Name | 3-(2-Methoxyphenyl)-1-phenyl-5-(trifluoromethyl)-1H-pyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.097997535 u |
| Formula | C17H13F3N2O |
| InChI | InChI=1S/C17H13F3N2O/c1-23-15-10-6-5-9-13(15)14-11-16(17(18,19)20)22(21-14)12-7-3-2-4-8-12/h2-11H,1H3 |
| InChIKey | DKOKESYBOMZWPD-UHFFFAOYSA-N |
| Molecular Weight | 318.299 g/mol |
| SMILES | C1(=NN(C(=C1)C(F)(F)F)C=1C=CC=CC1)C=1C(=CC=CC1)OC |