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N-[1-(4-Chlorobenzyl)-2-oxoazepan-3-yl]-2,6-difluorobenzamide

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N-[1-(4-Chlorobenzyl)-2-oxoazepan-3-yl]-2,6-difluorobenzamide
SpectraBase Compound ID 8c7YuBZE7Ur
InChI InChI=1S/C20H19ClF2N2O2/c21-14-9-7-13(8-10-14)12-25-11-2-1-6-17(20(25)27)24-19(26)18-15(22)4-3-5-16(18)23/h3-5,7-10,17H,1-2,6,11-12H2,(H,24,26)
InChIKey WRYIILUWTSXDPN-UHFFFAOYSA-N
Mol Weight 392.83 g/mol
Molecular Formula C20H19ClF2N2O2
Exact Mass 392.110312 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D8iDuJAbqUE
Name N-[1-(4-Chlorobenzyl)-2-oxoazepan-3-yl]-2,6-difluorobenzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 392.110311884 u
Formula C20H19ClF2N2O2
InChI InChI=1S/C20H19ClF2N2O2/c21-14-9-7-13(8-10-14)12-25-11-2-1-6-17(20(25)27)24-19(26)18-15(22)4-3-5-16(18)23/h3-5,7-10,17H,1-2,6,11-12H2,(H,24,26)
InChIKey WRYIILUWTSXDPN-UHFFFAOYSA-N
Molecular Weight 392.834 g/mol
SMILES C(C1=C(C=CC=C1F)F)(=O)NC1C(N(CCCC1)CC1=CC=C(C=C1)Cl)=O