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(5E)-1-(4-fluorophenyl)-5-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)methylene]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

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(5E)-1-(4-fluorophenyl)-5-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)methylene]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID 5ig8XUZmJLf
InChI InChI=1S/C21H15FN4O3S/c1-12-16(20(29)26(24-12)15-5-3-2-4-6-15)11-17-18(27)23-21(30)25(19(17)28)14-9-7-13(22)8-10-14/h2-11,16H,1H3,(H,23,27,30)/b17-11+
InChIKey XNEPUFVOXNUGAD-GZTJUZNOSA-N
Mol Weight 422.43 g/mol
Molecular Formula C21H15FN4O3S
Exact Mass 422.08489 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LY3DCIkbLre
Name (5E)-1-(4-fluorophenyl)-5-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)methylene]-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/C21H15FN4O3S/c1-12-16(20(29)26(24-12)15-5-3-2-4-6-15)11-17-18(27)23-21(30)25(19(17)28)14-9-7-13(22)8-10-14/h2-11,16H,1H3,(H,23,27,30)/b17-11+
InChIKey XNEPUFVOXNUGAD-GZTJUZNOSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_3191
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent CDCl3
Source File Reference VendorID: 113104; Labnumber: PAVL-06827; VK_ID: VK-003192
Synonyms 1-(4-fluorophenyl)-5-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)methylene]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 308 °C