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4-{5-[(E)-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxybenzyl}thiomorpholin-4-ium chloride
SpectraBase Compound ID KxbVfUiKvYd
InChI InChI=1S/C18H22N2O2S3.ClH/c1-3-20-17(21)16(25-18(20)23)11-13-4-5-15(22-2)14(10-13)12-19-6-8-24-9-7-19;/h4-5,10-11H,3,6-9,12H2,1-2H3;1H/b16-11+;
InChIKey WYVIJLYWBGGXJK-YFMOEUEHSA-N
Mol Weight 431.03 g/mol
Molecular Formula C18H23ClN2O2S3
Exact Mass 430.061019 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6o0MSkWU6yJ
Name 4-{5-[(E)-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxybenzyl}thiomorpholin-4-ium chloride
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/C18H22N2O2S3.ClH/c1-3-20-17(21)16(25-18(20)23)11-13-4-5-15(22-2)14(10-13)12-19-6-8-24-9-7-19;/h4-5,10-11H,3,6-9,12H2,1-2H3;1H/b16-11+;
InChIKey WYVIJLYWBGGXJK-YFMOEUEHSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6171
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: UZI/1023961; Labnumber: COL1018; UZI_ID: UZI-006173
Synonyms 4-{5-[(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxybenzyl}thiomorpholin-4-ium chloride
Temperature 318 °C