![N-[1-(3-Chlorobenzyl)-2-oxoazepan-3-yl]-2-methylbenzamide](/api/spectrum/1DMebzo3yGP/structure.png?h=300&w=458 "N-[1-(3-Chlorobenzyl)-2-oxoazepan-3-yl]-2-methylbenzamide")
| SpectraBase Compound ID | EChP6IuX7eo |
|---|---|
| InChI | InChI=1S/C21H23ClN2O2/c1-15-7-2-3-10-18(15)20(25)23-19-11-4-5-12-24(21(19)26)14-16-8-6-9-17(22)13-16/h2-3,6-10,13,19H,4-5,11-12,14H2,1H3,(H,23,25) |
| InChIKey | TZCSBKFUAACUHZ-UHFFFAOYSA-N |
| Mol Weight | 370.88 g/mol |
| Molecular Formula | C21H23ClN2O2 |
| Exact Mass | 370.144806 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1DMebzo3yGP |
|---|---|
| Name | N-[1-(3-Chlorobenzyl)-2-oxoazepan-3-yl]-2-methylbenzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 370.144805687 u |
| Formula | C21H23ClN2O2 |
| InChI | InChI=1S/C21H23ClN2O2/c1-15-7-2-3-10-18(15)20(25)23-19-11-4-5-12-24(21(19)26)14-16-8-6-9-17(22)13-16/h2-3,6-10,13,19H,4-5,11-12,14H2,1H3,(H,23,25) |
| InChIKey | TZCSBKFUAACUHZ-UHFFFAOYSA-N |
| Molecular Weight | 370.880 g/mol |
| SMILES | C(C1=C(C=CC=C1)C)(=O)NC1C(N(CCCC1)CC1=CC(=CC=C1)Cl)=O |