![2,4-Difluoro-N-[1-(2-methylbenzyl)-2-oxoazepan-3-yl]benzamide](/api/spectrum/H3BXBzA6G2J/structure.png?h=300&w=458 "2,4-Difluoro-N-[1-(2-methylbenzyl)-2-oxoazepan-3-yl]benzamide")
| SpectraBase Compound ID | 1Xgfuq4IsuR |
|---|---|
| InChI | InChI=1S/C21H22F2N2O2/c1-14-6-2-3-7-15(14)13-25-11-5-4-8-19(21(25)27)24-20(26)17-10-9-16(22)12-18(17)23/h2-3,6-7,9-10,12,19H,4-5,8,11,13H2,1H3,(H,24,26) |
| InChIKey | MWMJFENLOBPWNA-UHFFFAOYSA-N |
| Mol Weight | 372.42 g/mol |
| Molecular Formula | C21H22F2N2O2 |
| Exact Mass | 372.164934 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H3BXBzA6G2J |
|---|---|
| Name | 2,4-Difluoro-N-[1-(2-methylbenzyl)-2-oxoazepan-3-yl]benzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 372.164934280 u |
| Formula | C21H22F2N2O2 |
| InChI | InChI=1S/C21H22F2N2O2/c1-14-6-2-3-7-15(14)13-25-11-5-4-8-19(21(25)27)24-20(26)17-10-9-16(22)12-18(17)23/h2-3,6-7,9-10,12,19H,4-5,8,11,13H2,1H3,(H,24,26) |
| InChIKey | MWMJFENLOBPWNA-UHFFFAOYSA-N |
| Molecular Weight | 372.416 g/mol |
| SMILES | C(C1=C(C=C(C=C1)F)F)(=O)NC1C(N(CCCC1)CC1=C(C=CC=C1)C)=O |