![N-Methyl-5-[(nonyl)(hydroxy)]methyl-4-trifluoromethylpyrazole](/api/spectrum/D3tN96UDkw3/structure.png?h=300&w=458 "N-Methyl-5-[(nonyl)(hydroxy)]methyl-4-trifluoromethylpyrazole")
| SpectraBase Compound ID | 9ObT7rdxXgP |
|---|---|
| InChI | InChI=1S/C15H25F3N2O/c1-3-4-5-6-7-8-9-10-21-12-14-13(15(16,17)18)11-19-20(14)2/h11H,3-10,12H2,1-2H3 |
| InChIKey | BJHLOTUUIZSPHL-UHFFFAOYSA-N |
| Mol Weight | 306.37 g/mol |
| Molecular Formula | C15H25F3N2O |
| Exact Mass | 306.191898 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D3tN96UDkw3 |
|---|---|
| Name | N-Methyl-5-[(nonyl)(hydroxy)]methyl-4-trifluoromethylpyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.191897921 u |
| Formula | C15H25F3N2O |
| InChI | InChI=1S/C15H25F3N2O/c1-3-4-5-6-7-8-9-10-21-12-14-13(15(16,17)18)11-19-20(14)2/h11H,3-10,12H2,1-2H3 |
| InChIKey | BJHLOTUUIZSPHL-UHFFFAOYSA-N |
| Molecular Weight | 306.373 g/mol |
| SMILES | C1=NN(C(=C1C(F)(F)F)COCCCCCCCCC)C |