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

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(5E)-5-{[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1-(4-fluorophenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID 356s6JwZ3q7
InChI InChI=1S/C23H17BrFN3O2S/c1-13-11-15(14(2)27(13)18-7-3-16(24)4-8-18)12-20-21(29)26-23(31)28(22(20)30)19-9-5-17(25)6-10-19/h3-12H,1-2H3,(H,26,29,31)/b20-12+
InChIKey RZRYTFDDUNEIHW-UDWIEESQSA-N
Mol Weight 498.37 g/mol
Molecular Formula C23H17BrFN3O2S
Exact Mass 497.020889 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9llqjkWJTF8
Name (5E)-5-{[1-(4-bromophenyl)-2,5-dimethyl-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/C23H17BrFN3O2S/c1-13-11-15(14(2)27(13)18-7-3-16(24)4-8-18)12-20-21(29)26-23(31)28(22(20)30)19-9-5-17(25)6-10-19/h3-12H,1-2H3,(H,26,29,31)/b20-12+
InChIKey RZRYTFDDUNEIHW-UDWIEESQSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_3199
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: 113112; Labnumber: PAVL-06859; VK_ID: VK-003200
Synonyms 5-{[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1-(4-fluorophenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 308 °C