4-{5-[(E)-(4,6-dioxo-1-phenyl-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}benzoic acid

SpectraBase Compound ID	DpG3DGcMCbZ
InChI	InChI=1S/C22H14N2O5S/c25-19-17(20(26)24(22(30)23-19)15-4-2-1-3-5-15)12-16-10-11-18(29-16)13-6-8-14(9-7-13)21(27)28/h1-12H,(H,27,28)(H,23,25,30)/b17-12+
InChIKey	KQAPQIJWYLDIHY-SFQUDFHCSA-N Google Search
Mol Weight	418.42 g/mol
Molecular Formula	C22H14N2O5S
Exact Mass	418.062343 g/mol

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SpectraBase Spectrum ID	CmL0zcBgS5d
Name	4-{5-[(E)-(4,6-dioxo-1-phenyl-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}benzoic acid
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/C22H14N2O5S/c25-19-17(20(26)24(22(30)23-19)15-4-2-1-3-5-15)12-16-10-11-18(29-16)13-6-8-14(9-7-13)21(27)28/h1-12H,(H,27,28)(H,23,25,30)/b17-12+
InChIKey	KQAPQIJWYLDIHY-SFQUDFHCSA-N
NMR Offset	17.1563
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_3210
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: 113125; Labnumber: PAVL-06902; VK_ID: VK-003211
Synonyms	4-{5-[(4,6-dioxo-1-phenyl-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}benzoic acid
Temperature	308 °C