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

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(5E)-5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylene}-1-(4-ethoxyphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID Q7gtJhtTtv
InChI InChI=1S/C26H25N3O3S/c1-5-32-22-12-10-21(11-13-22)29-25(31)23(24(30)27-26(29)33)15-19-14-17(3)28(18(19)4)20-8-6-16(2)7-9-20/h6-15H,5H2,1-4H3,(H,27,30,33)/b23-15+
InChIKey ROLPJJZLLZKITC-HZHRSRAPSA-N
Mol Weight 459.56 g/mol
Molecular Formula C26H25N3O3S
Exact Mass 459.161663 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 52R9PayFx4n
Name (5E)-5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylene}-1-(4-ethoxyphenyl)-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/C26H25N3O3S/c1-5-32-22-12-10-21(11-13-22)29-25(31)23(24(30)27-26(29)33)15-19-14-17(3)28(18(19)4)20-8-6-16(2)7-9-20/h6-15H,5H2,1-4H3,(H,27,30,33)/b23-15+
InChIKey ROLPJJZLLZKITC-HZHRSRAPSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_3188
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: 113100; Labnumber: PAVL-06717; VK_ID: VK-003189
Synonyms 5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylene}-1-(4-ethoxyphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 308 °C