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(5E)-5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylene}-1-(4-ethylphenyl)-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-ethylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID 8u2JADXYgAp
InChI InChI=1S/C26H25N3O2S/c1-5-19-8-12-22(13-9-19)29-25(31)23(24(30)27-26(29)32)15-20-14-17(3)28(18(20)4)21-10-6-16(2)7-11-21/h6-15H,5H2,1-4H3,(H,27,30,32)/b23-15+
InChIKey VRIBSSWNDBTGRO-HZHRSRAPSA-N
Mol Weight 443.57 g/mol
Molecular Formula C26H25N3O2S
Exact Mass 443.166748 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Aq6T7J5syhB
Name (5E)-5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylene}-1-(4-ethylphenyl)-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/C26H25N3O2S/c1-5-19-8-12-22(13-9-19)29-25(31)23(24(30)27-26(29)32)15-20-14-17(3)28(18(20)4)21-10-6-16(2)7-11-21/h6-15H,5H2,1-4H3,(H,27,30,32)/b23-15+
InChIKey VRIBSSWNDBTGRO-HZHRSRAPSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_5828
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/1008532; UBI_ID: UBI-005830
Synonyms 5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylene}-1-(4-ethylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 315 °C