![4-{[(m-chlorobenzyl)amino]methylene}-3-(trifluoromethyl)-2-pyrazolin-5-one](/api/spectrum/FwQOW0n84EZ/structure.png?h=300&w=458 "4-{[(m-chlorobenzyl)amino]methylene}-3-(trifluoromethyl)-2-pyrazolin-5-one")
| SpectraBase Compound ID | PDnmRWNAYE |
|---|---|
| InChI | InChI=1S/C12H9ClF3N3O/c13-8-3-1-2-7(4-8)5-17-6-9-10(12(14,15)16)18-19-11(9)20/h1-4,6,17H,5H2,(H,19,20) |
| InChIKey | MJSSWXHPBDHTEX-UHFFFAOYSA-N |
| Mol Weight | 303.67 g/mol |
| Molecular Formula | C12H9ClF3N3O |
| Exact Mass | 303.038624 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FwQOW0n84EZ |
|---|---|
| Name | 4-{[(m-chlorobenzyl)amino]methylene}-3-(trifluoromethyl)-2-pyrazolin-5-one |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H9ClF3N3O |
| InChI | InChI=1S/C12H9ClF3N3O/c13-8-3-1-2-7(4-8)5-17-6-9-10(12(14,15)16)18-19-11(9)20/h1-4,6,17H,5H2,(H,19,20) |
| InChIKey | MJSSWXHPBDHTEX-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 57776M |
| Solvent | Polysol |