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

View entire compound with spectra: 1 NMR

N-[1-(4-Chlorobenzyl)-2-oxoazepan-3-yl]heptanamide
SpectraBase Compound ID JIMbZKIOS0c
InChI InChI=1S/C20H29ClN2O2/c1-2-3-4-5-9-19(24)22-18-8-6-7-14-23(20(18)25)15-16-10-12-17(21)13-11-16/h10-13,18H,2-9,14-15H2,1H3,(H,22,24)
InChIKey IOVVMRQTZMZANW-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 2hK8BuBonEx
Name N-[1-(4-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/c1-2-3-4-5-9-19(24)22-18-8-6-7-14-23(20(18)25)15-16-10-12-17(21)13-11-16/h10-13,18H,2-9,14-15H2,1H3,(H,22,24)
InChIKey IOVVMRQTZMZANW-UHFFFAOYSA-N
Molecular Weight 364.917 g/mol
SMILES C(CCCCCC)(=O)NC1C(N(CCCC1)CC1=CC=C(C=C1)Cl)=O