![1-Methyl-3-(trifluoromethyl)chromeno[4,3-c]pyrazol-4(1H)-one](/api/spectrum/6yPLPphm1dP/structure.png?h=300&w=458 "1-Methyl-3-(trifluoromethyl)chromeno[4,3-c]pyrazol-4(1H)-one")
| SpectraBase Compound ID | 29deGqTiA2W |
|---|---|
| InChI | InChI=1S/C12H7F3N2O2/c1-17-9-6-4-2-3-5-7(6)19-11(18)8(9)10(16-17)12(13,14)15/h2-5H,1H3 |
| InChIKey | GECZJDFQJDDEFS-UHFFFAOYSA-N |
| Mol Weight | 268.2 g/mol |
| Molecular Formula | C12H7F3N2O2 |
| Exact Mass | 268.045962 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6yPLPphm1dP |
|---|---|
| Name | 1-Methyl-3-(trifluoromethyl)chromeno[4,3-C]pyrazol-4(1H)-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.045961960 u |
| Formula | C12H7F3N2O2 |
| InChI | InChI=1S/C12H7F3N2O2/c1-17-9-6-4-2-3-5-7(6)19-11(18)8(9)10(16-17)12(13,14)15/h2-5H,1H3 |
| InChIKey | GECZJDFQJDDEFS-UHFFFAOYSA-N |
| Molecular Weight | 268.195 g/mol |
| SMILES | C1=2C(=NN(C2C=2C=CC=CC2OC1=O)C)C(F)(F)F |