| SpectraBase Compound ID | FfHkifKxnnH |
|---|---|
| InChI | InChI=1S/C17H18ClN3O/c18-14-5-4-6-15(13-14)19-17(22)21-11-9-20(10-12-21)16-7-2-1-3-8-16/h1-8,13H,9-12H2,(H,19,22) |
| InChIKey | ZLBXUONOZMWQLS-UHFFFAOYSA-N |
| Mol Weight | 315.8 g/mol |
| Molecular Formula | C17H18ClN3O |
| Exact Mass | 315.11384 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JsHRjyPWBrR |
|---|---|
| Name | N-(3-Chlorophenyl)-4-phenyl-1-piperazinecarboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.113839911 u |
| Formula | C17H18ClN3O |
| InChI | InChI=1S/C17H18ClN3O/c18-14-5-4-6-15(13-14)19-17(22)21-11-9-20(10-12-21)16-7-2-1-3-8-16/h1-8,13H,9-12H2,(H,19,22) |
| InChIKey | ZLBXUONOZMWQLS-UHFFFAOYSA-N |
| Molecular Weight | 315.804 g/mol |
| SMILES | N(C(=O)N1CCN(CC1)C1=CC=CC=C1)C=1C=C(Cl)C=CC1 |