![2,2-dichloro-N-[3-(1H-imidazol-1-yl)propyl]acetamide](/api/spectrum/K3JofNMZgsY/structure.png?h=300&w=458 "2,2-dichloro-N-[3-(1H-imidazol-1-yl)propyl]acetamide")
| SpectraBase Compound ID | 70SwyaTAJYq |
|---|---|
| InChI | InChI=1S/C8H11Cl2N3O/c9-7(10)8(14)12-2-1-4-13-5-3-11-6-13/h3,5-7H,1-2,4H2,(H,12,14) |
| InChIKey | QCXFMQGOKGZSDS-UHFFFAOYSA-N |
| Mol Weight | 236.1 g/mol |
| Molecular Formula | C8H11Cl2N3O |
| Exact Mass | 235.027917 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K3JofNMZgsY |
|---|---|
| Name | 2,2-Dichloro-N-[3-(1H-imidazol-1-yl)propyl]acetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.027917385 u |
| Formula | C8H11Cl2N3O |
| InChI | InChI=1S/C8H11Cl2N3O/c9-7(10)8(14)12-2-1-4-13-5-3-11-6-13/h3,5-7H,1-2,4H2,(H,12,14) |
| InChIKey | QCXFMQGOKGZSDS-UHFFFAOYSA-N |
| Molecular Weight | 236.102 g/mol |
| SMILES | N(C(C(Cl)Cl)=O)CCCN1C=NC=C1 |