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

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

N-[1-(2-Methylbenzyl)-2-oxoazepan-3-yl]heptanamide
SpectraBase Compound ID Dorl4rmY8J5
InChI InChI=1S/C21H32N2O2/c1-3-4-5-6-14-20(24)22-19-13-9-10-15-23(21(19)25)16-18-12-8-7-11-17(18)2/h7-8,11-12,19H,3-6,9-10,13-16H2,1-2H3,(H,22,24)
InChIKey GTUNPWXUMMNXTI-UHFFFAOYSA-N
Mol Weight 344.5 g/mol
Molecular Formula C21H32N2O2
Exact Mass 344.246378 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BayS4SGq64o
Name N-[1-(2-Methylbenzyl)-2-oxoazepan-3-yl]heptanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 344.246378276 u
Formula C21H32N2O2
InChI InChI=1S/C21H32N2O2/c1-3-4-5-6-14-20(24)22-19-13-9-10-15-23(21(19)25)16-18-12-8-7-11-17(18)2/h7-8,11-12,19H,3-6,9-10,13-16H2,1-2H3,(H,22,24)
InChIKey GTUNPWXUMMNXTI-UHFFFAOYSA-N
Molecular Weight 344.499 g/mol
SMILES C(CCCCCC)(=O)NC1C(N(CCCC1)CC1=C(C=CC=C1)C)=O