![4-{[5-hydroxy-1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methylene}-1-phenyl-3-(trifluoromethyl)-2-pyrazolin-5-one](/api/spectrum/DTWupxnd9eF/structure.png?h=300&w=458 "4-{[5-hydroxy-1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methylene}-1-phenyl-3-(trifluoromethyl)-2-pyrazolin-5-one")
| SpectraBase Compound ID | 7DT82eD31T9 |
|---|---|
| InChI | InChI=1S/C21H12F6N4O2/c22-20(23,24)16-14(18(32)30(28-16)12-7-3-1-4-8-12)11-15-17(21(25,26)27)29-31(19(15)33)13-9-5-2-6-10-13/h1-11,32H |
| InChIKey | MIIYDAGTPLRVGJ-UHFFFAOYSA-N |
| Mol Weight | 466.34 g/mol |
| Molecular Formula | C21H12F6N4O2 |
| Exact Mass | 466.086445 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DTWupxnd9eF |
|---|---|
| Name | 4-{[5-hydroxy-1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methylene}-1-phenyl-3-(trifluoromethyl)-2-pyrazolin-5-one |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H12F6N4O2 |
| InChI | InChI=1S/C21H12F6N4O2/c22-20(23,24)16-14(18(32)30(28-16)12-7-3-1-4-8-12)11-15-17(21(25,26)27)29-31(19(15)33)13-9-5-2-6-10-13/h1-11,32H |
| InChIKey | MIIYDAGTPLRVGJ-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 58334M |
| Solvent | CDCl3 |