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methyl (2Z)-2-(1-benzoyl-7-ethoxy-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-5-phenyl-1,3-dithiole-4-carboxylate

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methyl (2Z)-2-(1-benzoyl-7-ethoxy-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-5-phenyl-1,3-dithiole-4-carboxylate
SpectraBase Compound ID 5NVdcxOB1Dj
InChI InChI=1S/C31H27NO4S3/c1-5-36-21-16-17-22-23(18-21)32(28(33)20-14-10-7-11-15-20)31(2,3)27(37)24(22)30-38-25(19-12-8-6-9-13-19)26(39-30)29(34)35-4/h6-18H,5H2,1-4H3/b30-24-
InChIKey WMDBPHLFPGEMIH-KRUMMXJUSA-N
Mol Weight 573.74 g/mol
Molecular Formula C31H27NO4S3
Exact Mass 573.110222 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID L6NeuiKvCtC
Name methyl (2Z)-2-(1-benzoyl-7-ethoxy-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-5-phenyl-1,3-dithiole-4-carboxylate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C31H27NO4S3/c1-5-36-21-16-17-22-23(18-21)32(28(33)20-14-10-7-11-15-20)31(2,3)27(37)24(22)30-38-25(19-12-8-6-9-13-19)26(39-30)29(34)35-4/h6-18H,5H2,1-4H3/b30-24-
InChIKey WMDBPHLFPGEMIH-KRUMMXJUSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_1166
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: 700235VOR7-0285; Labnumber: 700235VOR7-0285; VK_ID: VK-001167
Synonyms methyl 2-(1-benzoyl-7-ethoxy-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-5-phenyl-1,3-dithiole-4-carboxylate
Temperature 318 °C