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2-[3-(1,3-benzodioxol-5-ylmethyl)-5-oxidanylidene-1-phenyl-2-sulfanylidene-imidazolidin-4-yl]-N-(4-chlorophenyl)ethanamide

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2-[3-(1,3-benzodioxol-5-ylmethyl)-5-oxidanylidene-1-phenyl-2-sulfanylidene-imidazolidin-4-yl]-N-(4-chlorophenyl)ethanamide
SpectraBase Compound ID DOTkSGneDX5
InChI InChI=1S/C25H20ClN3O4S/c26-17-7-9-18(10-8-17)27-23(30)13-20-24(31)29(19-4-2-1-3-5-19)25(34)28(20)14-16-6-11-21-22(12-16)33-15-32-21/h1-12,20H,13-15H2,(H,27,30)
InChIKey DWQHOGGAVQUPNJ-UHFFFAOYSA-N
Mol Weight 493.97 g/mol
Molecular Formula C25H20ClN3O4S
Exact Mass 493.086305 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IQfR7e2yOdW
Name 4-imidazolidineacetamide, 3-(1,3-benzodioxol-5-ylmethyl)-N-(4-chlorophenyl)-5-oxo-1-phenyl-2-thioxo-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C25H20ClN3O4S/c26-17-7-9-18(10-8-17)27-23(30)13-20-24(31)29(19-4-2-1-3-5-19)25(34)28(20)14-16-6-11-21-22(12-16)33-15-32-21/h1-12,20H,13-15H2,(H,27,30)
InChIKey DWQHOGGAVQUPNJ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_3126
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/11278742