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N-[1-(4-Methylbenzyl)-2-oxoazepan-3-yl]cyclohexanecarboxamide

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

N-[1-(4-Methylbenzyl)-2-oxoazepan-3-yl]cyclohexanecarboxamide
SpectraBase Compound ID 4spUGNQCptE
InChI InChI=1S/C21H30N2O2/c1-16-10-12-17(13-11-16)15-23-14-6-5-9-19(21(23)25)22-20(24)18-7-3-2-4-8-18/h10-13,18-19H,2-9,14-15H2,1H3,(H,22,24)
InChIKey OBIJJRAEGNYEAA-UHFFFAOYSA-N
Mol Weight 342.48 g/mol
Molecular Formula C21H30N2O2
Exact Mass 342.230728 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 94ebDmgxnsI
Name N-[1-(4-Methylbenzyl)-2-oxoazepan-3-yl]cyclohexanecarboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 342.230728212 u
Formula C21H30N2O2
InChI InChI=1S/C21H30N2O2/c1-16-10-12-17(13-11-16)15-23-14-6-5-9-19(21(23)25)22-20(24)18-7-3-2-4-8-18/h10-13,18-19H,2-9,14-15H2,1H3,(H,22,24)
InChIKey OBIJJRAEGNYEAA-UHFFFAOYSA-N
Molecular Weight 342.483 g/mol
SMILES C1(CCCCC1)C(=O)NC1C(N(CCCC1)CC1=CC=C(C=C1)C)=O