![N-[1-(2-Methylbenzyl)-2-oxoazepan-3-yl]cyclohexanecarboxamide](/api/spectrum/AFepnOrtI4j/structure.png?h=300&w=458 "N-[1-(2-Methylbenzyl)-2-oxoazepan-3-yl]cyclohexanecarboxamide")
| SpectraBase Compound ID | L8zcBFNXfni |
|---|---|
| InChI | InChI=1S/C21H30N2O2/c1-16-9-5-6-12-18(16)15-23-14-8-7-13-19(21(23)25)22-20(24)17-10-3-2-4-11-17/h5-6,9,12,17,19H,2-4,7-8,10-11,13-15H2,1H3,(H,22,24) |
| InChIKey | HRHKVJIRWKKQJW-UHFFFAOYSA-N |
| Mol Weight | 342.48 g/mol |
| Molecular Formula | C21H30N2O2 |
| Exact Mass | 342.230728 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AFepnOrtI4j |
|---|---|
| Name | N-[1-(2-Methylbenzyl)-2-oxoazepan-3-yl]cyclohexanecarboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.230728212 u |
| Formula | C21H30N2O2 |
| InChI | InChI=1S/C21H30N2O2/c1-16-9-5-6-12-18(16)15-23-14-8-7-13-19(21(23)25)22-20(24)17-10-3-2-4-11-17/h5-6,9,12,17,19H,2-4,7-8,10-11,13-15H2,1H3,(H,22,24) |
| InChIKey | HRHKVJIRWKKQJW-UHFFFAOYSA-N |
| Molecular Weight | 342.483 g/mol |
| SMILES | C1(CCCCC1)C(=O)NC1C(N(CCCC1)CC1=C(C=CC=C1)C)=O |