| SpectraBase Compound ID | Dsp5sPRDbb |
|---|---|
| InChI | InChI=1S/C13H12ClF3N2O2/c14-10-3-1-2-9(8-10)11(20)18-4-6-19(7-5-18)12(21)13(15,16)17/h1-3,8H,4-7H2 |
| InChIKey | ZTEGWUYLAAGWIF-UHFFFAOYSA-N |
| Mol Weight | 320.7 g/mol |
| Molecular Formula | C13H12ClF3N2O2 |
| Exact Mass | 320.05394 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Knm1b0mGmk8 |
|---|---|
| Name | 1-(3-Chlorobenzoyl)piperazine, N-trifluoroacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.053939821 u |
| Formula | C13H12ClF3N2O2 |
| InChI | InChI=1S/C13H12ClF3N2O2/c14-10-3-1-2-9(8-10)11(20)18-4-6-19(7-5-18)12(21)13(15,16)17/h1-3,8H,4-7H2 |
| InChIKey | ZTEGWUYLAAGWIF-UHFFFAOYSA-N |
| Molecular Weight | 320.699 g/mol |
| SMILES | C1(Cl)=CC(=CC=C1)C(=O)N1CCN(CC1)C(C(F)(F)F)=O |