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

View entire compound with spectra: 1 NMR

N-[1-(3-Chlorobenzyl)-2-oxoazepan-3-yl]-2-(phenylthio)acetamide
SpectraBase Compound ID IMRvSuSzauR
InChI InChI=1S/C21H23ClN2O2S/c22-17-8-6-7-16(13-17)14-24-12-5-4-11-19(21(24)26)23-20(25)15-27-18-9-2-1-3-10-18/h1-3,6-10,13,19H,4-5,11-12,14-15H2,(H,23,25)
InChIKey LVKGLFQHRLHZQD-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 LfrI9oETF5z
Name N-[1-(3-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/c22-17-8-6-7-16(13-17)14-24-12-5-4-11-19(21(24)26)23-20(25)15-27-18-9-2-1-3-10-18/h1-3,6-10,13,19H,4-5,11-12,14-15H2,(H,23,25)
InChIKey LVKGLFQHRLHZQD-UHFFFAOYSA-N
Molecular Weight 402.940 g/mol
SMILES C(CSC1=CC=CC=C1)(=O)NC1C(N(CCCC1)CC1=CC(=CC=C1)Cl)=O