2-bromo-4-[(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-6-methoxyphenyl benzoate

SpectraBase Compound ID	6RuF32HehC2
InChI	InChI=1S/C19H13BrN2O5S/c1-26-14-9-10(7-12-16(23)21-19(28)22-17(12)24)8-13(20)15(14)27-18(25)11-5-3-2-4-6-11/h2-9H,1H3,(H2,21,22,23,24,28)
InChIKey	PNNPWZJPQJYAQW-UHFFFAOYSA-N Google Search
Mol Weight	461.29 g/mol
Molecular Formula	C19H13BrN2O5S
Exact Mass	459.972856 g/mol

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SpectraBase Spectrum ID	LnOTgpIW5ig
Name	2-bromo-4-[(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-6-methoxyphenyl benzoate
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/C19H13BrN2O5S/c1-26-14-9-10(7-12-16(23)21-19(28)22-17(12)24)8-13(20)15(14)27-18(25)11-5-3-2-4-6-11/h2-9H,1H3,(H2,21,22,23,24,28)
InChIKey	PNNPWZJPQJYAQW-UHFFFAOYSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_21155
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: UZI/9364360; UBI_ID: UBI-021159
Temperature	308 °C