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

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(5E)-5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylene}-1-(4-fluorophenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID 9kQY5u3V7xm
InChI InChI=1S/C24H20FN3O2S/c1-14-4-8-19(9-5-14)27-15(2)12-17(16(27)3)13-21-22(29)26-24(31)28(23(21)30)20-10-6-18(25)7-11-20/h4-13H,1-3H3,(H,26,29,31)/b21-13+
InChIKey GIIFPYPOEZBSON-FYJGNVAPSA-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 7VwhjGPQIRY
Name (5E)-5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylene}-1-(4-fluorophenyl)-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/c1-14-4-8-19(9-5-14)27-15(2)12-17(16(27)3)13-21-22(29)26-24(31)28(23(21)30)20-10-6-18(25)7-11-20/h4-13H,1-3H3,(H,26,29,31)/b21-13+
InChIKey GIIFPYPOEZBSON-FYJGNVAPSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_3192
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: 113105; Labnumber: PAVL-06828; VK_ID: VK-003193
Synonyms 5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylene}-1-(4-fluorophenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 308 °C