| SpectraBase Compound ID | AUzQevfuC3U |
|---|---|
| InChI | InChI=1S/C17H16ClFN2O/c18-14-2-1-3-16(12-14)20-8-10-21(11-9-20)17(22)13-4-6-15(19)7-5-13/h1-7,12H,8-11H2 |
| InChIKey | OUJSCDFNNWGTAX-UHFFFAOYSA-N |
| Mol Weight | 318.78 g/mol |
| Molecular Formula | C17H16ClFN2O |
| Exact Mass | 318.093519 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CKVLpQREVIU |
|---|---|
| Name | 1-(3-Chlorophenyl)-4-(4-fluorobenzoyl)piperazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.093519005 u |
| Formula | C17H16ClFN2O |
| InChI | InChI=1S/C17H16ClFN2O/c18-14-2-1-3-16(12-14)20-8-10-21(11-9-20)17(22)13-4-6-15(19)7-5-13/h1-7,12H,8-11H2 |
| InChIKey | OUJSCDFNNWGTAX-UHFFFAOYSA-N |
| Molecular Weight | 318.779 g/mol |
| SMILES | C(N1CCN(CC1)C1=CC(Cl)=CC=C1)(C1=CC=C(F)C=C1)=O |