![4-Methyl-N-[1-(2-methylbenzyl)-2-oxoazepan-3-yl]benzamide](/api/spectrum/KRqzJAiOMX4/structure.png?h=300&w=458 "4-Methyl-N-[1-(2-methylbenzyl)-2-oxoazepan-3-yl]benzamide")
| SpectraBase Compound ID | BVdjzCHu58j |
|---|---|
| InChI | InChI=1S/C22H26N2O2/c1-16-10-12-18(13-11-16)21(25)23-20-9-5-6-14-24(22(20)26)15-19-8-4-3-7-17(19)2/h3-4,7-8,10-13,20H,5-6,9,14-15H2,1-2H3,(H,23,25) |
| InChIKey | HDTUVUCGAUSYRG-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 | KRqzJAiOMX4 |
|---|---|
| Name | 4-Methyl-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 | 350.199428083 u |
| Formula | C22H26N2O2 |
| InChI | InChI=1S/C22H26N2O2/c1-16-10-12-18(13-11-16)21(25)23-20-9-5-6-14-24(22(20)26)15-19-8-4-3-7-17(19)2/h3-4,7-8,10-13,20H,5-6,9,14-15H2,1-2H3,(H,23,25) |
| InChIKey | HDTUVUCGAUSYRG-UHFFFAOYSA-N |
| Molecular Weight | 350.462 g/mol |
| SMILES | C(C1=CC=C(C=C1)C)(=O)NC1C(N(CCCC1)CC1=C(C=CC=C1)C)=O |