![N-[1-(4-Chlorobenzyl)-2-oxoazepan-3-yl]-2-methylbenzamide](/api/spectrum/3aKL8KGVVbU/structure.png?h=300&w=458 "N-[1-(4-Chlorobenzyl)-2-oxoazepan-3-yl]-2-methylbenzamide")
| SpectraBase Compound ID | Je6NkSemxi5 |
|---|---|
| InChI | InChI=1S/C21H23ClN2O2/c1-15-6-2-3-7-18(15)20(25)23-19-8-4-5-13-24(21(19)26)14-16-9-11-17(22)12-10-16/h2-3,6-7,9-12,19H,4-5,8,13-14H2,1H3,(H,23,25) |
| InChIKey | PMEBGFRTHJDZGC-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 | 3aKL8KGVVbU |
|---|---|
| Name | N-[1-(4-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/c1-15-6-2-3-7-18(15)20(25)23-19-8-4-5-13-24(21(19)26)14-16-9-11-17(22)12-10-16/h2-3,6-7,9-12,19H,4-5,8,13-14H2,1H3,(H,23,25) |
| InChIKey | PMEBGFRTHJDZGC-UHFFFAOYSA-N |
| Molecular Weight | 370.880 g/mol |
| SMILES | C(C1=C(C=CC=C1)C)(=O)NC1C(N(CCCC1)CC1=CC=C(C=C1)Cl)=O |