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3-(3-chlorophenyl)-5-{(Z)-[1-(2,5-dichlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-6-hydroxy-2,4(1H,3H)-pyrimidinedione
SpectraBase Compound ID LNBezNN5HMY
InChI InChI=1S/C21H13Cl3N4O4/c1-10-14(20(31)28(26-10)17-8-12(23)5-6-16(17)24)9-15-18(29)25-21(32)27(19(15)30)13-4-2-3-11(22)7-13/h2-9,29H,1H3,(H,25,32)/b14-9-
InChIKey TVQQODJUJOYLTB-ZROIWOOFSA-N
Mol Weight 491.72 g/mol
Molecular Formula C21H13Cl3N4O4
Exact Mass 490.000238 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J3GXijIPFGc
Name 3-(3-chlorophenyl)-5-{(Z)-[1-(2,5-dichlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-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/C21H13Cl3N4O4/c1-10-14(20(31)28(26-10)17-8-12(23)5-6-16(17)24)9-15-18(29)25-21(32)27(19(15)30)13-4-2-3-11(22)7-13/h2-9,29H,1H3,(H,25,32)/b14-9-
InChIKey TVQQODJUJOYLTB-ZROIWOOFSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16019
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/8062041; UBI_ID: UBI-016022
Synonyms 3-(3-chlorophenyl)-5-{[1-(2,5-dichlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-6-hydroxy-2,4(1H,3H)-pyrimidinedione
Temperature 308 °C