| SpectraBase Compound ID | 89ooUcWJAA1 |
|---|---|
| InChI | InChI=1S/C12H12ClF3N2O/c13-9-3-1-2-4-10(9)17-5-7-18(8-6-17)11(19)12(14,15)16/h1-4H,5-8H2 |
| InChIKey | BXRKCFDIJXQYFX-UHFFFAOYSA-N |
| Mol Weight | 292.69 g/mol |
| Molecular Formula | C12H12ClF3N2O |
| Exact Mass | 292.059025 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GpeplmkD62r |
|---|---|
| Name | 1-(2-Chlorophenyl)piperazine tfa |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.059025202 u |
| Formula | C12H12ClF3N2O |
| InChI | InChI=1S/C12H12ClF3N2O/c13-9-3-1-2-4-10(9)17-5-7-18(8-6-17)11(19)12(14,15)16/h1-4H,5-8H2 |
| InChIKey | BXRKCFDIJXQYFX-UHFFFAOYSA-N |
| Molecular Weight | 292.689 g/mol |
| SMILES | C=1(N2CCN(C(C(F)(F)F)=O)CC2)C(=CC=CC1)Cl |