![2-Methoxy-N-{2-oxo-1-[3-(trifluoromethyl)benzyl]azepan-3-yl}benzamide](/api/spectrum/9IF4rEGvTWc/structure.png?h=300&w=458 "2-Methoxy-N-{2-oxo-1-[3-(trifluoromethyl)benzyl]azepan-3-yl}benzamide")
| SpectraBase Compound ID | 12elwEntbDU |
|---|---|
| InChI | InChI=1S/C22H23F3N2O3/c1-30-19-11-3-2-9-17(19)20(28)26-18-10-4-5-12-27(21(18)29)14-15-7-6-8-16(13-15)22(23,24)25/h2-3,6-9,11,13,18H,4-5,10,12,14H2,1H3,(H,26,28) |
| InChIKey | DQLQVRZTASZGNB-UHFFFAOYSA-N |
| Mol Weight | 420.43 g/mol |
| Molecular Formula | C22H23F3N2O3 |
| Exact Mass | 420.166077 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9IF4rEGvTWc |
|---|---|
| Name | 2-Methoxy-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 | 420.166077095 u |
| Formula | C22H23F3N2O3 |
| InChI | InChI=1S/C22H23F3N2O3/c1-30-19-11-3-2-9-17(19)20(28)26-18-10-4-5-12-27(21(18)29)14-15-7-6-8-16(13-15)22(23,24)25/h2-3,6-9,11,13,18H,4-5,10,12,14H2,1H3,(H,26,28) |
| InChIKey | DQLQVRZTASZGNB-UHFFFAOYSA-N |
| Molecular Weight | 420.432 g/mol |
| SMILES | C(C1=C(C=CC=C1)OC)(=O)NC1C(N(CCCC1)CC1=CC(=CC=C1)C(F)(F)F)=O |