| SpectraBase Compound ID | 4TqoALzVAG4 |
|---|---|
| InChI | InChI=1S/C16H15FN2/c1-19-16(13-5-3-2-4-6-13)11-15(18-19)12-7-9-14(17)10-8-12/h2-10,16H,11H2,1H3 |
| InChIKey | YYHKENGCAOCFRI-UHFFFAOYSA-N |
| Mol Weight | 254.31 g/mol |
| Molecular Formula | C16H15FN2 |
| Exact Mass | 254.121927 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5fxmrDJsUCX |
|---|---|
| Name | 3-(4-Fluorophenyl)-1-methyl-5-phenyl-4,5-dihydro-1H-pyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.121926654 u |
| Formula | C16H15FN2 |
| InChI | InChI=1S/C16H15FN2/c1-19-16(13-5-3-2-4-6-13)11-15(18-19)12-7-9-14(17)10-8-12/h2-10,16H,11H2,1H3 |
| InChIKey | YYHKENGCAOCFRI-UHFFFAOYSA-N |
| Molecular Weight | 254.308 g/mol |
| SMILES | C1(N(N=C(C1)C=1C=CC(=CC1)F)C)C=1C=CC=CC1 |