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3-Fluoro-N-{2-oxo-1-[3-(trifluoromethyl)benzyl]azepan-3-yl}benzamide

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3-Fluoro-N-{2-oxo-1-[3-(trifluoromethyl)benzyl]azepan-3-yl}benzamide
SpectraBase Compound ID 92Xz4xhx95l
InChI InChI=1S/C21H20F4N2O2/c22-17-8-4-6-15(12-17)19(28)26-18-9-1-2-10-27(20(18)29)13-14-5-3-7-16(11-14)21(23,24)25/h3-8,11-12,18H,1-2,9-10,13H2,(H,26,28)
InChIKey PSWUEORRDPJUTN-UHFFFAOYSA-N
Mol Weight 408.4 g/mol
Molecular Formula C21H20F4N2O2
Exact Mass 408.146091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GV2rpVrjDsu
Name 3-Fluoro-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 408.146090542 u
Formula C21H20F4N2O2
InChI InChI=1S/C21H20F4N2O2/c22-17-8-4-6-15(12-17)19(28)26-18-9-1-2-10-27(20(18)29)13-14-5-3-7-16(11-14)21(23,24)25/h3-8,11-12,18H,1-2,9-10,13H2,(H,26,28)
InChIKey PSWUEORRDPJUTN-UHFFFAOYSA-N
Molecular Weight 408.397 g/mol
SMILES C(C1=CC(=CC=C1)F)(=O)NC1C(N(CCCC1)CC1=CC(=CC=C1)C(F)(F)F)=O