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

View entire compound with spectra: 1 NMR

N-[1-(3-Chlorobenzyl)-2-oxoazepan-3-yl]benzamide
SpectraBase Compound ID wxTGE6Y2z7
InChI InChI=1S/C20H21ClN2O2/c21-17-10-6-7-15(13-17)14-23-12-5-4-11-18(20(23)25)22-19(24)16-8-2-1-3-9-16/h1-3,6-10,13,18H,4-5,11-12,14H2,(H,22,24)
InChIKey YAQJYIXLCXAEAW-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 9nMkwJ8yXaj
Name N-[1-(3-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/c21-17-10-6-7-15(13-17)14-23-12-5-4-11-18(20(23)25)22-19(24)16-8-2-1-3-9-16/h1-3,6-10,13,18H,4-5,11-12,14H2,(H,22,24)
InChIKey YAQJYIXLCXAEAW-UHFFFAOYSA-N
Molecular Weight 356.853 g/mol
SMILES C(C1=CC=CC=C1)(=O)NC1C(N(CCCC1)CC1=CC(=CC=C1)Cl)=O