| SpectraBase Compound ID | 7tn4aKgloqQ |
|---|---|
| InChI | InChI=1S/C13H15F2NO/c14-10-6-5-7-11(15)12(10)13(17)16-8-3-1-2-4-9-16/h5-7H,1-4,8-9H2 |
| InChIKey | RRINWFXOXXUQGK-UHFFFAOYSA-N |
| Mol Weight | 239.27 g/mol |
| Molecular Formula | C13H15F2NO |
| Exact Mass | 239.11217 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5316kB2E9hK |
|---|---|
| Name | Azepan-1-yl-(2,6-difluoro-phenyl)-methanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.112170432 u |
| Formula | C13H15F2NO |
| InChI | InChI=1S/C13H15F2NO/c14-10-6-5-7-11(15)12(10)13(17)16-8-3-1-2-4-9-16/h5-7H,1-4,8-9H2 |
| InChIKey | RRINWFXOXXUQGK-UHFFFAOYSA-N |
| Molecular Weight | 239.266 g/mol |
| SMILES | C(C1=C(F)C=CC=C1F)(N1CCCCCC1)=O |