| SpectraBase Compound ID | 5W7oftvinH5 |
|---|---|
| InChI | InChI=1S/C17H13F3N2O/c1-23-14-9-7-12(8-10-14)15-11-16(17(18,19)20)21-22(15)13-5-3-2-4-6-13/h2-11H,1H3 |
| InChIKey | BDKHUWDCBCQXKG-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 | JlM6LEcdC30 |
|---|---|
| Name | 1-Phenyl-5-(para-methoxyphenyl)-3-trifluoromethyl-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/c1-23-14-9-7-12(8-10-14)15-11-16(17(18,19)20)21-22(15)13-5-3-2-4-6-13/h2-11H,1H3 |
| InChIKey | BDKHUWDCBCQXKG-UHFFFAOYSA-N |
| Molecular Weight | 318.299 g/mol |
| SMILES | C=1(N(N=C(C1)C(F)(F)F)C1=CC=CC=C1)C1=CC=C(C=C1)OC |