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(5E)-5-{4-[(4-chlorobenzyl)oxy]-3-iodo-5-methoxybenzylidene}-1-(3,4-dimethylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID 7X0P4hzzffL
InChI InChI=1S/C27H22ClIN2O5/c1-15-4-9-20(10-16(15)2)31-26(33)21(25(32)30-27(31)34)11-18-12-22(29)24(23(13-18)35-3)36-14-17-5-7-19(28)8-6-17/h4-13H,14H2,1-3H3,(H,30,32,34)/b21-11+
InChIKey YYSBSXLCJBBXGA-SRZZPIQSSA-N
Mol Weight 616.84 g/mol
Molecular Formula C27H22ClIN2O5
Exact Mass 616.026195 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9BYGoJ2nr7O
Name (5E)-5-{4-[(4-chlorobenzyl)oxy]-3-iodo-5-methoxybenzylidene}-1-(3,4-dimethylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
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/C27H22ClIN2O5/c1-15-4-9-20(10-16(15)2)31-26(33)21(25(32)30-27(31)34)11-18-12-22(29)24(23(13-18)35-3)36-14-17-5-7-19(28)8-6-17/h4-13H,14H2,1-3H3,(H,30,32,34)/b21-11+
InChIKey YYSBSXLCJBBXGA-SRZZPIQSSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11251
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: 1003350; UBI_ID: UBI-011254
Synonyms 5-{4-[(4-chlorobenzyl)oxy]-3-iodo-5-methoxybenzylidene}-1-(3,4-dimethylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
Temperature 308 °C