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

View entire compound with spectra: 1 NMR

N-[1-(3-Chlorobenzyl)-2-oxoazepan-3-yl]heptanamide
SpectraBase Compound ID 1qbGnIbDH5m
InChI InChI=1S/C20H29ClN2O2/c1-2-3-4-5-12-19(24)22-18-11-6-7-13-23(20(18)25)15-16-9-8-10-17(21)14-16/h8-10,14,18H,2-7,11-13,15H2,1H3,(H,22,24)
InChIKey LXXBMKPMWHKOFJ-UHFFFAOYSA-N
Mol Weight 364.92 g/mol
Molecular Formula C20H29ClN2O2
Exact Mass 364.191756 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4w8YcwY6506
Name N-[1-(3-Chlorobenzyl)-2-oxoazepan-3-yl]heptanamide
Comments Computed using HOSE algorithm
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Exact Mass 364.191755880 u
Formula C20H29ClN2O2
InChI InChI=1S/C20H29ClN2O2/c1-2-3-4-5-12-19(24)22-18-11-6-7-13-23(20(18)25)15-16-9-8-10-17(21)14-16/h8-10,14,18H,2-7,11-13,15H2,1H3,(H,22,24)
InChIKey LXXBMKPMWHKOFJ-UHFFFAOYSA-N
Molecular Weight 364.917 g/mol
SMILES C(CCCCCC)(=O)NC1C(N(CCCC1)CC1=CC(=CC=C1)Cl)=O