![3-Fluoro-N-[1-(2-methylbenzyl)-2-oxoazepan-3-yl]benzamide](/api/spectrum/CXyiQnUICDI/structure.png?h=300&w=458 "3-Fluoro-N-[1-(2-methylbenzyl)-2-oxoazepan-3-yl]benzamide")
| SpectraBase Compound ID | 1jRziaV8phk |
|---|---|
| InChI | InChI=1S/C21H23FN2O2/c1-15-7-2-3-8-17(15)14-24-12-5-4-11-19(21(24)26)23-20(25)16-9-6-10-18(22)13-16/h2-3,6-10,13,19H,4-5,11-12,14H2,1H3,(H,23,25) |
| InChIKey | BJUMOFRPRAWKJY-UHFFFAOYSA-N |
| Mol Weight | 354.43 g/mol |
| Molecular Formula | C21H23FN2O2 |
| Exact Mass | 354.174356 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CXyiQnUICDI |
|---|---|
| Name | 3-Fluoro-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 | 354.174356150 u |
| Formula | C21H23FN2O2 |
| InChI | InChI=1S/C21H23FN2O2/c1-15-7-2-3-8-17(15)14-24-12-5-4-11-19(21(24)26)23-20(25)16-9-6-10-18(22)13-16/h2-3,6-10,13,19H,4-5,11-12,14H2,1H3,(H,23,25) |
| InChIKey | BJUMOFRPRAWKJY-UHFFFAOYSA-N |
| Molecular Weight | 354.425 g/mol |
| SMILES | C(C1=CC(=CC=C1)F)(=O)NC1C(N(CCCC1)CC1=C(C=CC=C1)C)=O |