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4-Bromo-N-[1-(4-methylbenzyl)-2-oxoazepan-3-yl]benzamide

View entire compound with spectra: 1 NMR

4-Bromo-N-[1-(4-methylbenzyl)-2-oxoazepan-3-yl]benzamide
SpectraBase Compound ID Fbzm53bWCIl
InChI InChI=1S/C21H23BrN2O2/c1-15-5-7-16(8-6-15)14-24-13-3-2-4-19(21(24)26)23-20(25)17-9-11-18(22)12-10-17/h5-12,19H,2-4,13-14H2,1H3,(H,23,25)
InChIKey HODOZTLSVXZGIN-UHFFFAOYSA-N
Mol Weight 415.33 g/mol
Molecular Formula C21H23BrN2O2
Exact Mass 414.094291 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6Pax91zq7sr
Name 4-Bromo-N-[1-(4-methylbenzyl)-2-oxoazepan-3-yl]benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 414.094290987 u
Formula C21H23BrN2O2
InChI InChI=1S/C21H23BrN2O2/c1-15-5-7-16(8-6-15)14-24-13-3-2-4-19(21(24)26)23-20(25)17-9-11-18(22)12-10-17/h5-12,19H,2-4,13-14H2,1H3,(H,23,25)
InChIKey HODOZTLSVXZGIN-UHFFFAOYSA-N
Molecular Weight 415.331 g/mol
SMILES C(C1=CC=C(C=C1)Br)(=O)NC1C(N(CCCC1)CC1=CC=C(C=C1)C)=O