![N-[1-(3-Chlorobenzyl)-2-oxoazepan-3-yl]-2-methoxybenzamide](/api/spectrum/1KwEJxZ86DS/structure.png?h=300&w=458 "N-[1-(3-Chlorobenzyl)-2-oxoazepan-3-yl]-2-methoxybenzamide")
| SpectraBase Compound ID | Aoo5mC8gkNw |
|---|---|
| InChI | InChI=1S/C21H23ClN2O3/c1-27-19-11-3-2-9-17(19)20(25)23-18-10-4-5-12-24(21(18)26)14-15-7-6-8-16(22)13-15/h2-3,6-9,11,13,18H,4-5,10,12,14H2,1H3,(H,23,25) |
| InChIKey | RWQLVEOVTJXWSJ-UHFFFAOYSA-N |
| Mol Weight | 386.88 g/mol |
| Molecular Formula | C21H23ClN2O3 |
| Exact Mass | 386.13972 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1KwEJxZ86DS |
|---|---|
| Name | N-[1-(3-Chlorobenzyl)-2-oxoazepan-3-yl]-2-methoxybenzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 386.139720306 u |
| Formula | C21H23ClN2O3 |
| InChI | InChI=1S/C21H23ClN2O3/c1-27-19-11-3-2-9-17(19)20(25)23-18-10-4-5-12-24(21(18)26)14-15-7-6-8-16(22)13-15/h2-3,6-9,11,13,18H,4-5,10,12,14H2,1H3,(H,23,25) |
| InChIKey | RWQLVEOVTJXWSJ-UHFFFAOYSA-N |
| Molecular Weight | 386.879 g/mol |
| SMILES | C(C1=C(C=CC=C1)OC)(=O)NC1C(N(CCCC1)CC1=CC(=CC=C1)Cl)=O |