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N-[1-(4-Chlorobenzyl)-2-oxoazepan-3-yl]-4-fluorobenzamide

View entire compound with spectra: 1 NMR

N-[1-(4-Chlorobenzyl)-2-oxoazepan-3-yl]-4-fluorobenzamide
SpectraBase Compound ID AwJK3w0UKCm
InChI InChI=1S/C20H20ClFN2O2/c21-16-8-4-14(5-9-16)13-24-12-2-1-3-18(20(24)26)23-19(25)15-6-10-17(22)11-7-15/h4-11,18H,1-3,12-13H2,(H,23,25)
InChIKey RWOXHPAYMKPCEO-UHFFFAOYSA-N
Mol Weight 374.84 g/mol
Molecular Formula C20H20ClFN2O2
Exact Mass 374.119734 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4yigqgnRPMz
Name N-[1-(4-Chlorobenzyl)-2-oxoazepan-3-yl]-4-fluorobenzamide
Comments Computed using HOSE algorithm
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Exact Mass 374.119733753 u
Formula C20H20ClFN2O2
InChI InChI=1S/C20H20ClFN2O2/c21-16-8-4-14(5-9-16)13-24-12-2-1-3-18(20(24)26)23-19(25)15-6-10-17(22)11-7-15/h4-11,18H,1-3,12-13H2,(H,23,25)
InChIKey RWOXHPAYMKPCEO-UHFFFAOYSA-N
Molecular Weight 374.843 g/mol
SMILES C(C1=CC=C(C=C1)F)(=O)NC1C(N(CCCC1)CC1=CC=C(C=C1)Cl)=O