![N-[1-(2-Methylbenzyl)-2-oxoazepan-3-yl]-3-(trifluoromethyl)benzamide](/api/spectrum/Al1DQKc5Cdz/structure.png?h=300&w=458 "N-[1-(2-Methylbenzyl)-2-oxoazepan-3-yl]-3-(trifluoromethyl)benzamide")
| SpectraBase Compound ID | B4McuO1mwFE |
|---|---|
| InChI | InChI=1S/C22H23F3N2O2/c1-15-7-2-3-8-17(15)14-27-12-5-4-11-19(21(27)29)26-20(28)16-9-6-10-18(13-16)22(23,24)25/h2-3,6-10,13,19H,4-5,11-12,14H2,1H3,(H,26,28) |
| InChIKey | GBONJOXLMBXQOV-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 | Al1DQKc5Cdz |
|---|---|
| Name | N-[1-(2-Methylbenzyl)-2-oxoazepan-3-yl]-3-(trifluoromethyl)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/c1-15-7-2-3-8-17(15)14-27-12-5-4-11-19(21(27)29)26-20(28)16-9-6-10-18(13-16)22(23,24)25/h2-3,6-10,13,19H,4-5,11-12,14H2,1H3,(H,26,28) |
| InChIKey | GBONJOXLMBXQOV-UHFFFAOYSA-N |
| Molecular Weight | 404.433 g/mol |
| SMILES | C(C1=CC(=CC=C1)C(F)(F)F)(=O)NC1C(N(CCCC1)CC1=C(C=CC=C1)C)=O |