(5E)-5-{[1-(4-bromophenyl)-1H-pyrrol-2-yl]methylene}-1-(4-methoxyphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

SpectraBase Compound ID	EumyPqWkxXH
InChI	InChI=1S/C22H16BrN3O3S/c1-29-18-10-8-16(9-11-18)26-21(28)19(20(27)24-22(26)30)13-17-3-2-12-25(17)15-6-4-14(23)5-7-15/h2-13H,1H3,(H,24,27,30)/b19-13+
InChIKey	LXRAHKBXEADANO-CPNJWEJPSA-N Google Search
Mol Weight	482.35 g/mol
Molecular Formula	C22H16BrN3O3S
Exact Mass	481.009576 g/mol

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SpectraBase Spectrum ID	Aq7e72nvxWK
Name	(5E)-5-{[1-(4-bromophenyl)-1H-pyrrol-2-yl]methylene}-1-(4-methoxyphenyl)-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/C22H16BrN3O3S/c1-29-18-10-8-16(9-11-18)26-21(28)19(20(27)24-22(26)30)13-17-3-2-12-25(17)15-6-4-14(23)5-7-15/h2-13H,1H3,(H,24,27,30)/b19-13+
InChIKey	LXRAHKBXEADANO-CPNJWEJPSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_10364
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: 1001384; UBI_ID: UBI-010367
Synonyms	5-{[1-(4-bromophenyl)-1H-pyrrol-2-yl]methylene}-1-(4-methoxyphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature	315 °C