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

View entire compound with spectra: 1 NMR

N-[1-(4-Chlorobenzyl)-2-oxoazepan-3-yl]pivalamide
SpectraBase Compound ID L8BBo2STwSa
InChI InChI=1S/C18H25ClN2O2/c1-18(2,3)17(23)20-15-6-4-5-11-21(16(15)22)12-13-7-9-14(19)10-8-13/h7-10,15H,4-6,11-12H2,1-3H3,(H,20,23)
InChIKey OIOMKLODQKMORM-UHFFFAOYSA-N
Mol Weight 336.86 g/mol
Molecular Formula C18H25ClN2O2
Exact Mass 336.160456 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J8gtUhOvhg7
Name N-[1-(4-Chlorobenzyl)-2-oxoazepan-3-yl]pivalamide
Comments Computed using HOSE algorithm
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Exact Mass 336.160455751 u
Formula C18H25ClN2O2
InChI InChI=1S/C18H25ClN2O2/c1-18(2,3)17(23)20-15-6-4-5-11-21(16(15)22)12-13-7-9-14(19)10-8-13/h7-10,15H,4-6,11-12H2,1-3H3,(H,20,23)
InChIKey OIOMKLODQKMORM-UHFFFAOYSA-N
Molecular Weight 336.863 g/mol
SMILES C(C(C)(C)C)(=O)NC1C(N(CCCC1)CC1=CC=C(C=C1)Cl)=O