| SpectraBase Compound ID | 5eMSlNadMHD |
|---|---|
| InChI | InChI=1S/C13H12ClF5N2O/c14-12(15,16)11(22)21-6-4-20(5-7-21)10-3-1-2-9(8-10)13(17,18)19/h1-3,8H,4-7H2 |
| InChIKey | AJVAIVYPJLHYKB-UHFFFAOYSA-N |
| Mol Weight | 342.7 g/mol |
| Molecular Formula | C13H12ClF5N2O |
| Exact Mass | 342.055832 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5h2BtXyBkif |
|---|---|
| Name | N-(3-Trifluoromethylphenyl)piperazine, N'-chlorodifluoroacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.055831528 u |
| Formula | C13H12ClF5N2O |
| InChI | InChI=1S/C13H12ClF5N2O/c14-12(15,16)11(22)21-6-4-20(5-7-21)10-3-1-2-9(8-10)13(17,18)19/h1-3,8H,4-7H2 |
| InChIKey | AJVAIVYPJLHYKB-UHFFFAOYSA-N |
| Molecular Weight | 342.697 g/mol |
| SMILES | C1=CC(=CC(=C1)N1CCN(CC1)C(C(F)(F)Cl)=O)C(F)(F)F |