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

View entire compound with spectra: 1 NMR

N-[1-(4-Chlorobenzyl)-2-oxoazepan-3-yl]benzamide
SpectraBase Compound ID DsY5Xuxnrnx
InChI InChI=1S/C20H21ClN2O2/c21-17-11-9-15(10-12-17)14-23-13-5-4-8-18(20(23)25)22-19(24)16-6-2-1-3-7-16/h1-3,6-7,9-12,18H,4-5,8,13-14H2,(H,22,24)
InChIKey RCGUQSNLEQDYSH-UHFFFAOYSA-N
Mol Weight 356.85 g/mol
Molecular Formula C20H21ClN2O2
Exact Mass 356.129156 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7irkhaLyJLE
Name N-[1-(4-Chlorobenzyl)-2-oxoazepan-3-yl]benzamide
Comments Computed using HOSE algorithm
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Exact Mass 356.129155622 u
Formula C20H21ClN2O2
InChI InChI=1S/C20H21ClN2O2/c21-17-11-9-15(10-12-17)14-23-13-5-4-8-18(20(23)25)22-19(24)16-6-2-1-3-7-16/h1-3,6-7,9-12,18H,4-5,8,13-14H2,(H,22,24)
InChIKey RCGUQSNLEQDYSH-UHFFFAOYSA-N
Molecular Weight 356.853 g/mol
SMILES C(C1=CC=CC=C1)(=O)NC1C(N(CCCC1)CC1=CC=C(C=C1)Cl)=O