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N-[1-(4-Chlorobenzyl)-2-oxoazepan-3-yl]-2-(phenylthio)acetamide

View entire compound with spectra: 1 NMR

N-[1-(4-Chlorobenzyl)-2-oxoazepan-3-yl]-2-(phenylthio)acetamide
SpectraBase Compound ID 1lWqNCtG4Tr
InChI InChI=1S/C21H23ClN2O2S/c22-17-11-9-16(10-12-17)14-24-13-5-4-8-19(21(24)26)23-20(25)15-27-18-6-2-1-3-7-18/h1-3,6-7,9-12,19H,4-5,8,13-15H2,(H,23,25)
InChIKey HFOSNQSKHNLKCR-UHFFFAOYSA-N
Mol Weight 402.94 g/mol
Molecular Formula C21H23ClN2O2S
Exact Mass 402.116877 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J6uxaq5ZQP0
Name N-[1-(4-Chlorobenzyl)-2-oxoazepan-3-yl]-2-(phenylthio)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.116876861 u
Formula C21H23ClN2O2S
InChI InChI=1S/C21H23ClN2O2S/c22-17-11-9-16(10-12-17)14-24-13-5-4-8-19(21(24)26)23-20(25)15-27-18-6-2-1-3-7-18/h1-3,6-7,9-12,19H,4-5,8,13-15H2,(H,23,25)
InChIKey HFOSNQSKHNLKCR-UHFFFAOYSA-N
Molecular Weight 402.940 g/mol
SMILES C(CSC1=CC=CC=C1)(=O)NC1C(N(CCCC1)CC1=CC=C(C=C1)Cl)=O