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5-{(Z)-[1-(4-bromophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-3-(3-chlorophenyl)-6-hydroxy-2,4(1H,3H)-pyrimidinedione
SpectraBase Compound ID EEpXKVgEqcN
InChI InChI=1S/C21H14BrClN4O4/c1-11-16(20(30)27(25-11)14-7-5-12(22)6-8-14)10-17-18(28)24-21(31)26(19(17)29)15-4-2-3-13(23)9-15/h2-10,28H,1H3,(H,24,31)/b16-10-
InChIKey HJJKHDKYWAOJPY-YBEGLDIGSA-N
Mol Weight 501.72 g/mol
Molecular Formula C21H14BrClN4O4
Exact Mass 499.988696 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2F7JC5n95OL
Name 5-{(Z)-[1-(4-bromophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-3-(3-chlorophenyl)-6-hydroxy-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/C21H14BrClN4O4/c1-11-16(20(30)27(25-11)14-7-5-12(22)6-8-14)10-17-18(28)24-21(31)26(19(17)29)15-4-2-3-13(23)9-15/h2-10,28H,1H3,(H,24,31)/b16-10-
InChIKey HJJKHDKYWAOJPY-YBEGLDIGSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_15947
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/8055257; UBI_ID: UBI-015950
Synonyms 5-{[1-(4-bromophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-3-(3-chlorophenyl)-6-hydroxy-2,4(1H,3H)-pyrimidinedione
Temperature 313 °C