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

SpectraBase Compound ID	7Ukdgr2U2Cq
InChI	InChI=1S/C22H12Cl2N2O5S/c23-12-2-1-3-13(9-12)26-20(28)16(19(27)25-22(26)32)10-14-5-7-18(31-14)15-8-11(21(29)30)4-6-17(15)24/h1-10H,(H,29,30)(H,25,27,32)/b16-10+
InChIKey	PCSSGPWHLIHJIK-MHWRWJLKSA-N Google Search
Mol Weight	487.31 g/mol
Molecular Formula	C22H12Cl2N2O5S
Exact Mass	485.984398 g/mol

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SpectraBase Spectrum ID	ARjfJURom4N
Name	4-chloro-3-{5-[(E)-(1-(3-chlorophenyl)-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/C22H12Cl2N2O5S/c23-12-2-1-3-13(9-12)26-20(28)16(19(27)25-22(26)32)10-14-5-7-18(31-14)15-8-11(21(29)30)4-6-17(15)24/h1-10H,(H,29,30)(H,25,27,32)/b16-10+
InChIKey	PCSSGPWHLIHJIK-MHWRWJLKSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_11858
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: 1003504; UBI_ID: UBI-011861
Synonyms	4-chloro-3-{5-[(1-(3-chlorophenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}benzoic acid
Temperature	318 °C