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3-(3-chlorophenyl)-6-hydroxy-5-{(Z)-[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2,4(1H,3H)-pyrimidinedione

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3-(3-chlorophenyl)-6-hydroxy-5-{(Z)-[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2,4(1H,3H)-pyrimidinedione
SpectraBase Compound ID 7p7duthhI59
InChI InChI=1S/C22H17ClN4O4/c1-12-6-8-15(9-7-12)27-21(30)17(13(2)25-27)11-18-19(28)24-22(31)26(20(18)29)16-5-3-4-14(23)10-16/h3-11,28H,1-2H3,(H,24,31)/b17-11-
InChIKey XLOIOOQMHWXDSJ-BOPFTXTBSA-N
Mol Weight 436.86 g/mol
Molecular Formula C22H17ClN4O4
Exact Mass 436.093833 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7OPEmjlRpS
Name 3-(3-chlorophenyl)-6-hydroxy-5-{(Z)-[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-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/C22H17ClN4O4/c1-12-6-8-15(9-7-12)27-21(30)17(13(2)25-27)11-18-19(28)24-22(31)26(20(18)29)16-5-3-4-14(23)10-16/h3-11,28H,1-2H3,(H,24,31)/b17-11-
InChIKey XLOIOOQMHWXDSJ-BOPFTXTBSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16013
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/8060943; UBI_ID: UBI-016016
Synonyms 3-(3-chlorophenyl)-6-hydroxy-5-{[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2,4(1H,3H)-pyrimidinedione
Temperature 308 °C