![3-Chloro-N-{6-[(3-chloropropanoyl)amino]hexyl}propanamide](/api/spectrum/DWb33c3dKoW/structure.png?h=300&w=458 "3-Chloro-N-{6-[(3-chloropropanoyl)amino]hexyl}propanamide")
| SpectraBase Compound ID | A9vmcdfHlQW |
|---|---|
| InChI | InChI=1S/C12H22Cl2N2O2/c13-7-5-11(17)15-9-3-1-2-4-10-16-12(18)6-8-14/h1-10H2,(H,15,17)(H,16,18) |
| InChIKey | KYRIMKLUBAFBLV-UHFFFAOYSA-N |
| Mol Weight | 297.23 g/mol |
| Molecular Formula | C12H22Cl2N2O2 |
| Exact Mass | 296.105833 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DWb33c3dKoW |
|---|---|
| Name | 3-Chloro-N-{6-[(3-chloropropanoyl)amino]hexyl}propanamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.105833354 u |
| Formula | C12H22Cl2N2O2 |
| InChI | InChI=1S/C12H22Cl2N2O2/c13-7-5-11(17)15-9-3-1-2-4-10-16-12(18)6-8-14/h1-10H2,(H,15,17)(H,16,18) |
| InChIKey | KYRIMKLUBAFBLV-UHFFFAOYSA-N |
| Molecular Weight | 297.226 g/mol |
| SMILES | C(Cl)CC(=O)NCCCCCCNC(=O)CCCl |