![N-[1-(4-Chlorobenzyl)-2-oxoazepan-3-yl]-3-fluorobenzamide](/api/spectrum/CIyvIV79Bnd/structure.png?h=300&w=458 "N-[1-(4-Chlorobenzyl)-2-oxoazepan-3-yl]-3-fluorobenzamide")
| SpectraBase Compound ID | FGTH1cJp3b4 |
|---|---|
| InChI | InChI=1S/C20H20ClFN2O2/c21-16-9-7-14(8-10-16)13-24-11-2-1-6-18(20(24)26)23-19(25)15-4-3-5-17(22)12-15/h3-5,7-10,12,18H,1-2,6,11,13H2,(H,23,25) |
| InChIKey | ASDNDHSSBIYFMZ-UHFFFAOYSA-N |
| Mol Weight | 374.84 g/mol |
| Molecular Formula | C20H20ClFN2O2 |
| Exact Mass | 374.119734 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CIyvIV79Bnd |
|---|---|
| Name | N-[1-(4-Chlorobenzyl)-2-oxoazepan-3-yl]-3-fluorobenzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 374.119733753 u |
| Formula | C20H20ClFN2O2 |
| InChI | InChI=1S/C20H20ClFN2O2/c21-16-9-7-14(8-10-16)13-24-11-2-1-6-18(20(24)26)23-19(25)15-4-3-5-17(22)12-15/h3-5,7-10,12,18H,1-2,6,11,13H2,(H,23,25) |
| InChIKey | ASDNDHSSBIYFMZ-UHFFFAOYSA-N |
| Molecular Weight | 374.843 g/mol |
| SMILES | C(C1=CC(=CC=C1)F)(=O)NC1C(N(CCCC1)CC1=CC=C(C=C1)Cl)=O |