![N-[1-(4-Methylbenzyl)-2-oxoazepan-3-yl]benzamide](/api/spectrum/1Owd6H4bUxy/structure.png?h=300&w=458 "N-[1-(4-Methylbenzyl)-2-oxoazepan-3-yl]benzamide")
| SpectraBase Compound ID | 7br9GYCMt1k |
|---|---|
| InChI | InChI=1S/C21H24N2O2/c1-16-10-12-17(13-11-16)15-23-14-6-5-9-19(21(23)25)22-20(24)18-7-3-2-4-8-18/h2-4,7-8,10-13,19H,5-6,9,14-15H2,1H3,(H,22,24) |
| InChIKey | PSFKVVPEPHOIFD-UHFFFAOYSA-N |
| Mol Weight | 336.44 g/mol |
| Molecular Formula | C21H24N2O2 |
| Exact Mass | 336.183778 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Owd6H4bUxy |
|---|---|
| Name | N-[1-(4-Methylbenzyl)-2-oxoazepan-3-yl]benzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.183778019 u |
| Formula | C21H24N2O2 |
| InChI | InChI=1S/C21H24N2O2/c1-16-10-12-17(13-11-16)15-23-14-6-5-9-19(21(23)25)22-20(24)18-7-3-2-4-8-18/h2-4,7-8,10-13,19H,5-6,9,14-15H2,1H3,(H,22,24) |
| InChIKey | PSFKVVPEPHOIFD-UHFFFAOYSA-N |
| Molecular Weight | 336.435 g/mol |
| SMILES | C(C1=CC=CC=C1)(=O)NC1C(N(CCCC1)CC1=CC=C(C=C1)C)=O |