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(5E)-1-(3-chlorophenyl)-5-{[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

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(5E)-1-(3-chlorophenyl)-5-{[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID 3p1PhmtDFNi
InChI InChI=1S/C25H22ClN3O2S/c1-14-8-15(2)10-21(9-14)28-16(3)11-18(17(28)4)12-22-23(30)27-25(32)29(24(22)31)20-7-5-6-19(26)13-20/h5-13H,1-4H3,(H,27,30,32)/b22-12+
InChIKey DYCUKMDGCQDHOI-WSDLNYQXSA-N
Mol Weight 463.98 g/mol
Molecular Formula C25H22ClN3O2S
Exact Mass 463.112126 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1F74iR90hwG
Name (5E)-1-(3-chlorophenyl)-5-{[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-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/C25H22ClN3O2S/c1-14-8-15(2)10-21(9-14)28-16(3)11-18(17(28)4)12-22-23(30)27-25(32)29(24(22)31)20-7-5-6-19(26)13-20/h5-13H,1-4H3,(H,27,30,32)/b22-12+
InChIKey DYCUKMDGCQDHOI-WSDLNYQXSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_21234
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/9681739; UBI_ID: UBI-021238
Synonyms 1-(3-chlorophenyl)-5-{[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 315 °C