![3-[5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-propanamine](/api/spectrum/I1fEzO5AtvY/structure.png?h=300&w=458 "3-[5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-propanamine")
| SpectraBase Compound ID | AIqmK5lqwvQ |
|---|---|
| InChI | InChI=1S/C8H12F3N3/c1-6-5-7(8(9,10)11)13-14(6)4-2-3-12/h5H,2-4,12H2,1H3 |
| InChIKey | AKQDGIVPYKSDKZ-UHFFFAOYSA-N |
| Mol Weight | 207.2 g/mol |
| Molecular Formula | C8H12F3N3 |
| Exact Mass | 207.098332 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I1fEzO5AtvY |
|---|---|
| Name | 3-[5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-propanamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.098331887 u |
| Formula | C8H12F3N3 |
| InChI | InChI=1S/C8H12F3N3/c1-6-5-7(8(9,10)11)13-14(6)4-2-3-12/h5H,2-4,12H2,1H3 |
| InChIKey | AKQDGIVPYKSDKZ-UHFFFAOYSA-N |
| Molecular Weight | 207.200 g/mol |
| SMILES | C(F)(F)(F)C1=NN(C(=C1)C)CCCN |