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(5Z)-1-(3-chlorophenyl)-5-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylene]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID 78XS4HuNYgD
InChI InChI=1S/C23H18ClN3O2S/c1-14-11-16(15(2)26(14)18-8-4-3-5-9-18)12-20-21(28)25-23(30)27(22(20)29)19-10-6-7-17(24)13-19/h3-13H,1-2H3,(H,25,28,30)/b20-12-
InChIKey VOGXHOXMOYGUMP-NDENLUEZSA-N
Mol Weight 435.93 g/mol
Molecular Formula C23H18ClN3O2S
Exact Mass 435.080826 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8PayIincm1
Name (5Z)-1-(3-chlorophenyl)-5-[(2,5-dimethyl-1-phenyl-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/C23H18ClN3O2S/c1-14-11-16(15(2)26(14)18-8-4-3-5-9-18)12-20-21(28)25-23(30)27(22(20)29)19-10-6-7-17(24)13-19/h3-13H,1-2H3,(H,25,28,30)/b20-12-
InChIKey VOGXHOXMOYGUMP-NDENLUEZSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_3577
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: 113215; Labnumber: PAVL-218256; VK_ID: VK-003578
Synonyms 1-(3-chlorophenyl)-5-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylene]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 308 °C