benzoic acid, 4-[[(tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)methyl]amino]-

SpectraBase Compound ID	dRoGBUrecB
InChI	InChI=1S/C12H9N3O4S/c16-9-8(10(17)15-12(20)14-9)5-13-7-3-1-6(2-4-7)11(18)19/h1-5,13H,(H,18,19)(H2,14,15,16,17,20)
InChIKey	QYQGDHCFEIBAOO-UHFFFAOYSA-N Google Search
Mol Weight	291.28 g/mol
Molecular Formula	C12H9N3O4S
Exact Mass	291.031377 g/mol

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SpectraBase Spectrum ID	I1IIxi1mWju
Name	benzoic acid, 4-[[(tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)methyl]amino]-
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/C12H9N3O4S/c16-9-8(10(17)15-12(20)14-9)5-13-7-3-1-6(2-4-7)11(18)19/h1-5,13H,(H,18,19)(H2,14,15,16,17,20)
InChIKey	QYQGDHCFEIBAOO-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_8516_2067
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: AG-205/5081133; Labnumber: MAR001984v; IOH_ID: IOH-009070