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2,6-Difluoro-N-{2-oxo-1-[3-(trifluoromethyl)benzyl]azepan-3-yl}benzamide

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2,6-Difluoro-N-{2-oxo-1-[3-(trifluoromethyl)benzyl]azepan-3-yl}benzamide
SpectraBase Compound ID 4y6mLFDQTku
InChI InChI=1S/C21H19F5N2O2/c22-15-7-4-8-16(23)18(15)19(29)27-17-9-1-2-10-28(20(17)30)12-13-5-3-6-14(11-13)21(24,25)26/h3-8,11,17H,1-2,9-10,12H2,(H,27,29)
InChIKey WRGVFXVZFIZMKF-UHFFFAOYSA-N
Mol Weight 426.39 g/mol
Molecular Formula C21H19F5N2O2
Exact Mass 426.136669 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 78cDY4nMKFv
Name 2,6-Difluoro-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 426.136668673 u
Formula C21H19F5N2O2
InChI InChI=1S/C21H19F5N2O2/c22-15-7-4-8-16(23)18(15)19(29)27-17-9-1-2-10-28(20(17)30)12-13-5-3-6-14(11-13)21(24,25)26/h3-8,11,17H,1-2,9-10,12H2,(H,27,29)
InChIKey WRGVFXVZFIZMKF-UHFFFAOYSA-N
Molecular Weight 426.387 g/mol
SMILES C(C1=C(C=CC=C1F)F)(=O)NC1C(N(CCCC1)CC1=CC(=CC=C1)C(F)(F)F)=O