![N-[1-(3-Chlorobenzyl)-2-oxoazepan-3-yl]cyclohexanecarboxamide](/api/spectrum/rAcHEnHX4f/structure.png?h=300&w=458 "N-[1-(3-Chlorobenzyl)-2-oxoazepan-3-yl]cyclohexanecarboxamide")
| SpectraBase Compound ID | 7bxDz8xxd8K |
|---|---|
| InChI | InChI=1S/C20H27ClN2O2/c21-17-10-6-7-15(13-17)14-23-12-5-4-11-18(20(23)25)22-19(24)16-8-2-1-3-9-16/h6-7,10,13,16,18H,1-5,8-9,11-12,14H2,(H,22,24) |
| InChIKey | WOHWMAQZCXZINZ-UHFFFAOYSA-N |
| Mol Weight | 362.9 g/mol |
| Molecular Formula | C20H27ClN2O2 |
| Exact Mass | 362.176106 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | rAcHEnHX4f |
|---|---|
| Name | N-[1-(3-Chlorobenzyl)-2-oxoazepan-3-yl]cyclohexanecarboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.176105815 u |
| Formula | C20H27ClN2O2 |
| InChI | InChI=1S/C20H27ClN2O2/c21-17-10-6-7-15(13-17)14-23-12-5-4-11-18(20(23)25)22-19(24)16-8-2-1-3-9-16/h6-7,10,13,16,18H,1-5,8-9,11-12,14H2,(H,22,24) |
| InChIKey | WOHWMAQZCXZINZ-UHFFFAOYSA-N |
| Molecular Weight | 362.901 g/mol |
| SMILES | C1(CCCCC1)C(=O)NC1C(N(CCCC1)CC1=CC(=CC=C1)Cl)=O |