![2-Methyl-N-{2-oxo-1-[3-(trifluoromethyl)benzyl]azepan-3-yl}benzamide](/api/spectrum/AM868Utb2ZV/structure.png?h=300&w=458 "2-Methyl-N-{2-oxo-1-[3-(trifluoromethyl)benzyl]azepan-3-yl}benzamide")
| SpectraBase Compound ID | 3jjRQPfSk0I |
|---|---|
| InChI | InChI=1S/C22H23F3N2O2/c1-15-7-2-3-10-18(15)20(28)26-19-11-4-5-12-27(21(19)29)14-16-8-6-9-17(13-16)22(23,24)25/h2-3,6-10,13,19H,4-5,11-12,14H2,1H3,(H,26,28) |
| InChIKey | JTCSCFIXDDIRSK-UHFFFAOYSA-N |
| Mol Weight | 404.43 g/mol |
| Molecular Formula | C22H23F3N2O2 |
| Exact Mass | 404.171162 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AM868Utb2ZV |
|---|---|
| Name | 2-Methyl-N-{2-oxo-1-[3-(trifluoromethyl)benzyl]azepan-3-yl}benzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 404.171162476 u |
| Formula | C22H23F3N2O2 |
| InChI | InChI=1S/C22H23F3N2O2/c1-15-7-2-3-10-18(15)20(28)26-19-11-4-5-12-27(21(19)29)14-16-8-6-9-17(13-16)22(23,24)25/h2-3,6-10,13,19H,4-5,11-12,14H2,1H3,(H,26,28) |
| InChIKey | JTCSCFIXDDIRSK-UHFFFAOYSA-N |
| Molecular Weight | 404.433 g/mol |
| SMILES | C(C1=C(C=CC=C1)C)(=O)NC1C(N(CCCC1)CC1=CC(=CC=C1)C(F)(F)F)=O |