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5-{(Z)-[1-(2,5-dichlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-6-hydroxy-3-(4-methylphenyl)-2,4(1H,3H)-pyrimidinedione
SpectraBase Compound ID 5ObDbyU9Ibv
InChI InChI=1S/C22H16Cl2N4O4/c1-11-3-6-14(7-4-11)27-20(30)16(19(29)25-22(27)32)10-15-12(2)26-28(21(15)31)18-9-13(23)5-8-17(18)24/h3-10,29H,1-2H3,(H,25,32)/b15-10-
InChIKey JUAQKMVQBFGDJJ-GDNBJRDFSA-N
Mol Weight 471.3 g/mol
Molecular Formula C22H16Cl2N4O4
Exact Mass 470.05486 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LKDSQYeRq8K
Name 5-{(Z)-[1-(2,5-dichlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-6-hydroxy-3-(4-methylphenyl)-2,4(1H,3H)-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/C22H16Cl2N4O4/c1-11-3-6-14(7-4-11)27-20(30)16(19(29)25-22(27)32)10-15-12(2)26-28(21(15)31)18-9-13(23)5-8-17(18)24/h3-10,29H,1-2H3,(H,25,32)/b15-10-
InChIKey JUAQKMVQBFGDJJ-GDNBJRDFSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16005
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: UZI/8060094; UBI_ID: UBI-016008
Synonyms 5-{[1-(2,5-dichlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-6-hydroxy-3-(4-methylphenyl)-2,4(1H,3H)-pyrimidinedione
Temperature 313 °C