5-bromo-2-{5-[(Z)-(4-hydroxy-6-oxo-2-thioxo-1,6-dihydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}benzoic acid

SpectraBase Compound ID	2tGIUfqLn5O
InChI	InChI=1S/C16H9BrN2O5S/c17-7-1-3-9(10(5-7)15(22)23)12-4-2-8(24-12)6-11-13(20)18-16(25)19-14(11)21/h1-6H,(H,22,23)(H2,18,19,20,21,25)
InChIKey	DQPLTMIFSWTWIT-UHFFFAOYSA-N Google Search
Mol Weight	421.22 g/mol
Molecular Formula	C16H9BrN2O5S
Exact Mass	419.941556 g/mol

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SpectraBase Spectrum ID	GmJn1GggVkB
Name	5-bromo-2-{5-[(Z)-(4-hydroxy-6-oxo-2-thioxo-1,6-dihydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}benzoic acid
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C16H9BrN2O5S/c17-7-1-3-9(10(5-7)15(22)23)12-4-2-8(24-12)6-11-13(20)18-16(25)19-14(11)21/h1-6H,(H,22,23)(H2,18,19,20,21,25)
InChIKey	DQPLTMIFSWTWIT-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_9312
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: D53466; Labnumber: SPUGRUM-0268; SBI_ID: SBI-009315
Synonyms	5-bromo-2-{5-[(4-hydroxy-6-oxo-2-thioxo-1,6-dihydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}benzoic acid
Temperature	308 °C