![4-Bromo-N-[1-(2-methylbenzyl)-2-oxoazepan-3-yl]benzamide](/api/spectrum/98Pd6y0Oiw6/structure.png?h=300&w=458 "4-Bromo-N-[1-(2-methylbenzyl)-2-oxoazepan-3-yl]benzamide")
| SpectraBase Compound ID | 1ywNo4lgmYS |
|---|---|
| InChI | InChI=1S/C21H23BrN2O2/c1-15-6-2-3-7-17(15)14-24-13-5-4-8-19(21(24)26)23-20(25)16-9-11-18(22)12-10-16/h2-3,6-7,9-12,19H,4-5,8,13-14H2,1H3,(H,23,25) |
| InChIKey | MFOLDMKBQPCBKU-UHFFFAOYSA-N |
| Mol Weight | 415.33 g/mol |
| Molecular Formula | C21H23BrN2O2 |
| Exact Mass | 414.094291 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 98Pd6y0Oiw6 |
|---|---|
| Name | 4-Bromo-N-[1-(2-methylbenzyl)-2-oxoazepan-3-yl]benzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 414.094290987 u |
| Formula | C21H23BrN2O2 |
| InChI | InChI=1S/C21H23BrN2O2/c1-15-6-2-3-7-17(15)14-24-13-5-4-8-19(21(24)26)23-20(25)16-9-11-18(22)12-10-16/h2-3,6-7,9-12,19H,4-5,8,13-14H2,1H3,(H,23,25) |
| InChIKey | MFOLDMKBQPCBKU-UHFFFAOYSA-N |
| Molecular Weight | 415.331 g/mol |
| SMILES | C(C1=CC=C(C=C1)Br)(=O)NC1C(N(CCCC1)CC1=C(C=CC=C1)C)=O |