3-{5-[(E)-(1-(4-fluorophenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}benzoic acid

SpectraBase Compound ID	E1xC9fjYSmC
InChI	InChI=1S/C22H13FN2O5S/c23-14-4-6-15(7-5-14)25-20(27)17(19(26)24-22(25)31)11-16-8-9-18(30-16)12-2-1-3-13(10-12)21(28)29/h1-11H,(H,28,29)(H,24,26,31)/b17-11+
InChIKey	BXDQZCAUWFWBRT-GZTJUZNOSA-N Google Search
Mol Weight	436.41 g/mol
Molecular Formula	C22H13FN2O5S
Exact Mass	436.052921 g/mol

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SpectraBase Spectrum ID	74CD7Ix3G7P
Name	3-{5-[(E)-(1-(4-fluorophenyl)-4,6-dioxo-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/C22H13FN2O5S/c23-14-4-6-15(7-5-14)25-20(27)17(19(26)24-22(25)31)11-16-8-9-18(30-16)12-2-1-3-13(10-12)21(28)29/h1-11H,(H,28,29)(H,24,26,31)/b17-11+
InChIKey	BXDQZCAUWFWBRT-GZTJUZNOSA-N
NMR Offset	17.1563
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_3198
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: 113111; Labnumber: PAVL-06858; VK_ID: VK-003199
Synonyms	3-{5-[(1-(4-fluorophenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}benzoic acid
Temperature	308 °C