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2-Methyl-N-[1-(4-methylbenzyl)-2-oxoazepan-3-yl]pentanamide

View entire compound with spectra: 1 NMR

2-Methyl-N-[1-(4-methylbenzyl)-2-oxoazepan-3-yl]pentanamide
SpectraBase Compound ID 52erjBxrnqp
InChI InChI=1S/C20H30N2O2/c1-4-7-16(3)19(23)21-18-8-5-6-13-22(20(18)24)14-17-11-9-15(2)10-12-17/h9-12,16,18H,4-8,13-14H2,1-3H3,(H,21,23)
InChIKey UKQAHGLNFFARQO-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 CZLJsLLNGJH
Name 2-Methyl-N-[1-(4-methylbenzyl)-2-oxoazepan-3-yl]pentanamide
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/c1-4-7-16(3)19(23)21-18-8-5-6-13-22(20(18)24)14-17-11-9-15(2)10-12-17/h9-12,16,18H,4-8,13-14H2,1-3H3,(H,21,23)
InChIKey UKQAHGLNFFARQO-UHFFFAOYSA-N
Molecular Weight 330.472 g/mol
SMILES C(C(CCC)C)(=O)NC1C(N(CCCC1)CC1=CC=C(C=C1)C)=O