![2-Methyl-N-[1-(4-methylbenzyl)-2-oxoazepan-3-yl]benzamide](/api/spectrum/5hZHyV4AbHC/structure.png?h=300&w=458 "2-Methyl-N-[1-(4-methylbenzyl)-2-oxoazepan-3-yl]benzamide")
| SpectraBase Compound ID | 8G3QSjlRvuh |
|---|---|
| InChI | InChI=1S/C22H26N2O2/c1-16-10-12-18(13-11-16)15-24-14-6-5-9-20(22(24)26)23-21(25)19-8-4-3-7-17(19)2/h3-4,7-8,10-13,20H,5-6,9,14-15H2,1-2H3,(H,23,25) |
| InChIKey | GYUZRDYJVKZTHB-UHFFFAOYSA-N |
| Mol Weight | 350.46 g/mol |
| Molecular Formula | C22H26N2O2 |
| Exact Mass | 350.199428 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5hZHyV4AbHC |
|---|---|
| Name | 2-Methyl-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 | 350.199428083 u |
| Formula | C22H26N2O2 |
| InChI | InChI=1S/C22H26N2O2/c1-16-10-12-18(13-11-16)15-24-14-6-5-9-20(22(24)26)23-21(25)19-8-4-3-7-17(19)2/h3-4,7-8,10-13,20H,5-6,9,14-15H2,1-2H3,(H,23,25) |
| InChIKey | GYUZRDYJVKZTHB-UHFFFAOYSA-N |
| Molecular Weight | 350.462 g/mol |
| SMILES | C(C1=C(C=CC=C1)C)(=O)NC1C(N(CCCC1)CC1=CC=C(C=C1)C)=O |