![1-Methyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine](/api/spectrum/FJfjmXf15AI/structure.png?h=300&w=458 "1-Methyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine")
| SpectraBase Compound ID | HbZQXvbrmmd |
|---|---|
| InChI | InChI=1S/C12H14F3N3O2/c1-16-4-6-17(7-5-16)10-3-2-9(12(13,14)15)8-11(10)18(19)20/h2-3,8H,4-7H2,1H3 |
| InChIKey | TYTJRQMHDOGOIP-UHFFFAOYSA-N |
| Mol Weight | 289.26 g/mol |
| Molecular Formula | C12H14F3N3O2 |
| Exact Mass | 289.103811 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FJfjmXf15AI |
|---|---|
| Name | 1-Methyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.103811190 u |
| Formula | C12H14F3N3O2 |
| InChI | InChI=1S/C12H14F3N3O2/c1-16-4-6-17(7-5-16)10-3-2-9(12(13,14)15)8-11(10)18(19)20/h2-3,8H,4-7H2,1H3 |
| InChIKey | TYTJRQMHDOGOIP-UHFFFAOYSA-N |
| Molecular Weight | 289.258 g/mol |
| SMILES | C(F)(F)(F)C1=CC(=C(C=C1)N1CCN(CC1)C)N(=O)=O |