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(5E)-5-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1-(2-methylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

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(5E)-5-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1-(2-methylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID E0bcJEBxVye
InChI InChI=1S/C24H20FN3O2S/c1-14-6-4-5-7-21(14)28-23(30)20(22(29)26-24(28)31)13-17-12-15(2)27(16(17)3)19-10-8-18(25)9-11-19/h4-13H,1-3H3,(H,26,29,31)/b20-13+
InChIKey DMECKYNXOWGIBZ-DEDYPNTBSA-N
Mol Weight 433.5 g/mol
Molecular Formula C24H20FN3O2S
Exact Mass 433.126026 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4O8i0tqDo0W
Name (5E)-5-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1-(2-methylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
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/C24H20FN3O2S/c1-14-6-4-5-7-21(14)28-23(30)20(22(29)26-24(28)31)13-17-12-15(2)27(16(17)3)19-10-8-18(25)9-11-19/h4-13H,1-3H3,(H,26,29,31)/b20-13+
InChIKey DMECKYNXOWGIBZ-DEDYPNTBSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_3193
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: 113106; Labnumber: PAVL-06829; VK_ID: VK-003194
Synonyms 5-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1-(2-methylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 308 °C