![[4-(3-Chlorophenyl)-1-piperazinyl]-(3-pyridinyl)methanone](/api/spectrum/FCjNd00HvQd/structure.png?h=300&w=458 "[4-(3-Chlorophenyl)-1-piperazinyl]-(3-pyridinyl)methanone")
| SpectraBase Compound ID | 3AlLVoZB6Kj |
|---|---|
| InChI | InChI=1S/C16H16ClN3O/c17-14-4-1-5-15(11-14)19-7-9-20(10-8-19)16(21)13-3-2-6-18-12-13/h1-6,11-12H,7-10H2 |
| InChIKey | KUQGCIZZBKJVTC-UHFFFAOYSA-N |
| Mol Weight | 301.78 g/mol |
| Molecular Formula | C16H16ClN3O |
| Exact Mass | 301.09819 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FCjNd00HvQd |
|---|---|
| Name | [4-(3-Chlorophenyl)-1-piperazinyl]-(3-pyridinyl)methanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.098189846 u |
| Formula | C16H16ClN3O |
| InChI | InChI=1S/C16H16ClN3O/c17-14-4-1-5-15(11-14)19-7-9-20(10-8-19)16(21)13-3-2-6-18-12-13/h1-6,11-12H,7-10H2 |
| InChIKey | KUQGCIZZBKJVTC-UHFFFAOYSA-N |
| Molecular Weight | 301.777 g/mol |
| SMILES | C(N1CCN(CC1)C=1C=C(Cl)C=CC1)(C1=CN=CC=C1)=O |