| SpectraBase Compound ID | 12MLRSGNYtp |
|---|---|
| InChI | InChI=1S/C20H22ClN3O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19/h5-12,25H,3-4,13H2,1-2H3,(H,22,23) |
| InChIKey | OVCDSSHSILBFBN-UHFFFAOYSA-N |
| Mol Weight | 355.87 g/mol |
| Molecular Formula | C20H22ClN3O |
| Exact Mass | 355.14514 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6DiT7oltkl2 |
|---|---|
| Name | Amodiaquine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 355.145140039 u |
| Formula | C20H22ClN3O |
| InChI | InChI=1S/C20H22ClN3O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19/h5-12,25H,3-4,13H2,1-2H3,(H,22,23) |
| InChIKey | OVCDSSHSILBFBN-UHFFFAOYSA-N |
| Molecular Weight | 355.869 g/mol |
| SMILES | C1=C(C=CC2=C1N=CC=C2NC1=CC(=C(C=C1)O)CN(CC)CC)Cl |