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

View entire compound with spectra: 1 NMR

N-[1-(3-Chlorobenzyl)-2-oxoazepan-3-yl]hexanamide
SpectraBase Compound ID 7s1PnSEMBPO
InChI InChI=1S/C19H27ClN2O2/c1-2-3-4-11-18(23)21-17-10-5-6-12-22(19(17)24)14-15-8-7-9-16(20)13-15/h7-9,13,17H,2-6,10-12,14H2,1H3,(H,21,23)
InChIKey HGYDWZOQLIOZFK-UHFFFAOYSA-N
Mol Weight 350.89 g/mol
Molecular Formula C19H27ClN2O2
Exact Mass 350.176106 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HvMClO9bXxE
Name N-[1-(3-Chlorobenzyl)-2-oxoazepan-3-yl]hexanamide
Comments Computed using HOSE algorithm
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Exact Mass 350.176105815 u
Formula C19H27ClN2O2
InChI InChI=1S/C19H27ClN2O2/c1-2-3-4-11-18(23)21-17-10-5-6-12-22(19(17)24)14-15-8-7-9-16(20)13-15/h7-9,13,17H,2-6,10-12,14H2,1H3,(H,21,23)
InChIKey HGYDWZOQLIOZFK-UHFFFAOYSA-N
Molecular Weight 350.890 g/mol
SMILES C(CCCCC)(=O)NC1C(N(CCCC1)CC1=CC(=CC=C1)Cl)=O