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

View entire compound with spectra: 1 NMR, and 1 FTIR

N-[1-(2-Methylbenzyl)-2-oxoazepan-3-yl]hexanamide
SpectraBase Compound ID 8OxoW2cwU8r
InChI InChI=1S/C20H30N2O2/c1-3-4-5-13-19(23)21-18-12-8-9-14-22(20(18)24)15-17-11-7-6-10-16(17)2/h6-7,10-11,18H,3-5,8-9,12-15H2,1-2H3,(H,21,23)
InChIKey WNTHWAGZYDREIA-UHFFFAOYSA-N
Mol Weight 330.47 g/mol
Molecular Formula C20H30N2O2
Exact Mass 330.230728 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E2myzaHyczU
Name N-[1-(2-Methylbenzyl)-2-oxoazepan-3-yl]hexanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 330.230728212 u
Formula C20H30N2O2
InChI InChI=1S/C20H30N2O2/c1-3-4-5-13-19(23)21-18-12-8-9-14-22(20(18)24)15-17-11-7-6-10-16(17)2/h6-7,10-11,18H,3-5,8-9,12-15H2,1-2H3,(H,21,23)
InChIKey WNTHWAGZYDREIA-UHFFFAOYSA-N
Molecular Weight 330.472 g/mol
SMILES C(CCCCC)(=O)NC1C(N(CCCC1)CC1=C(C=CC=C1)C)=O