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

View entire compound with spectra: 1 NMR

N-[1-(4-Chlorobenzyl)-2-oxoazepan-3-yl]-2,4-dimethylbenzamide
SpectraBase Compound ID 9NiP2XpmsIC
InChI InChI=1S/C22H25ClN2O2/c1-15-6-11-19(16(2)13-15)21(26)24-20-5-3-4-12-25(22(20)27)14-17-7-9-18(23)10-8-17/h6-11,13,20H,3-5,12,14H2,1-2H3,(H,24,26)
InChIKey GVJXSWZXZILXFK-UHFFFAOYSA-N
Mol Weight 384.91 g/mol
Molecular Formula C22H25ClN2O2
Exact Mass 384.160456 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C4XPh0HuvGk
Name N-[1-(4-Chlorobenzyl)-2-oxoazepan-3-yl]-2,4-dimethylbenzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 384.160455751 u
Formula C22H25ClN2O2
InChI InChI=1S/C22H25ClN2O2/c1-15-6-11-19(16(2)13-15)21(26)24-20-5-3-4-12-25(22(20)27)14-17-7-9-18(23)10-8-17/h6-11,13,20H,3-5,12,14H2,1-2H3,(H,24,26)
InChIKey GVJXSWZXZILXFK-UHFFFAOYSA-N
Molecular Weight 384.907 g/mol
SMILES C(C1=C(C=C(C=C1)C)C)(=O)NC1C(N(CCCC1)CC1=CC=C(C=C1)Cl)=O