![N-[1-(4-Methylbenzyl)-2-oxoazepan-3-yl]-3-(trifluoromethyl)benzamide](/api/spectrum/70HfL69H1P6/structure.png?h=300&w=458 "N-[1-(4-Methylbenzyl)-2-oxoazepan-3-yl]-3-(trifluoromethyl)benzamide")
| SpectraBase Compound ID | 6kxuBbNo0Nd |
|---|---|
| InChI | InChI=1S/C22H23F3N2O2/c1-15-8-10-16(11-9-15)14-27-12-3-2-7-19(21(27)29)26-20(28)17-5-4-6-18(13-17)22(23,24)25/h4-6,8-11,13,19H,2-3,7,12,14H2,1H3,(H,26,28) |
| InChIKey | QXSOUPSBCCJMNM-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 | 70HfL69H1P6 |
|---|---|
| Name | N-[1-(4-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/c1-15-8-10-16(11-9-15)14-27-12-3-2-7-19(21(27)29)26-20(28)17-5-4-6-18(13-17)22(23,24)25/h4-6,8-11,13,19H,2-3,7,12,14H2,1H3,(H,26,28) |
| InChIKey | QXSOUPSBCCJMNM-UHFFFAOYSA-N |
| Molecular Weight | 404.433 g/mol |
| SMILES | C(C1=CC(=CC=C1)C(F)(F)F)(=O)NC1C(N(CCCC1)CC1=CC=C(C=C1)C)=O |