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

View entire compound with spectra: 1 NMR

N-[1-(3-Chlorobenzyl)-2-oxoazepan-3-yl]-3-nitrobenzamide
SpectraBase Compound ID AFHTpy4KCGw
InChI InChI=1S/C20H20ClN3O4/c21-16-7-3-5-14(11-16)13-23-10-2-1-9-18(20(23)26)22-19(25)15-6-4-8-17(12-15)24(27)28/h3-8,11-12,18H,1-2,9-10,13H2,(H,22,25)
InChIKey UASZTHIZRXLNEQ-UHFFFAOYSA-N
Mol Weight 401.85 g/mol
Molecular Formula C20H20ClN3O4
Exact Mass 401.114234 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GLnv5gGdZJp
Name N-[1-(3-Chlorobenzyl)-2-oxoazepan-3-yl]-3-nitrobenzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 401.114233832 u
Formula C20H20ClN3O4
InChI InChI=1S/C20H20ClN3O4/c21-16-7-3-5-14(11-16)13-23-10-2-1-9-18(20(23)26)22-19(25)15-6-4-8-17(12-15)24(27)28/h3-8,11-12,18H,1-2,9-10,13H2,(H,22,25)
InChIKey UASZTHIZRXLNEQ-UHFFFAOYSA-N
Molecular Weight 401.850 g/mol
SMILES C(C1=CC(=CC=C1)N(=O)=O)(=O)NC1C(N(CCCC1)CC1=CC(=CC=C1)Cl)=O