| SpectraBase Compound ID | 9ZCgIcdrG42 |
|---|---|
| InChI | InChI=1S/C17H16ClIN2O/c18-13-4-3-5-14(12-13)20-8-10-21(11-9-20)17(22)15-6-1-2-7-16(15)19/h1-7,12H,8-11H2 |
| InChIKey | MMLWCKQJJUPAMF-UHFFFAOYSA-N |
| Mol Weight | 426.69 g/mol |
| Molecular Formula | C17H16ClIN2O |
| Exact Mass | 425.999586 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DfZX9j6VWko |
|---|---|
| Name | 1-(3-Chlorophenyl)-4-(2-iodobenzoyl)piperazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 425.999585842 u |
| Formula | C17H16ClIN2O |
| InChI | InChI=1S/C17H16ClIN2O/c18-13-4-3-5-14(12-13)20-8-10-21(11-9-20)17(22)15-6-1-2-7-16(15)19/h1-7,12H,8-11H2 |
| InChIKey | MMLWCKQJJUPAMF-UHFFFAOYSA-N |
| Molecular Weight | 426.685 g/mol |
| SMILES | C(C1=C(I)C=CC=C1)(N1CCN(CC1)C=1C=C(Cl)C=CC1)=O |