4-[(2-imino-5-iodo-4,6-dioxohexahydro-5-pyrimidinyl)methyl]benzoic acid

SpectraBase Compound ID	E2F1kvYNIPB
InChI	InChI=1S/C12H10IN3O4/c13-12(9(19)15-11(14)16-10(12)20)5-6-1-3-7(4-2-6)8(17)18/h1-4H,5H2,(H,17,18)(H3,14,15,16,19,20)
InChIKey	XXRCWODFXLJTQM-UHFFFAOYSA-N Google Search
Mol Weight	387.13 g/mol
Molecular Formula	C12H10IN3O4
Exact Mass	386.971601 g/mol

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SpectraBase Spectrum ID	EVrerHmkUGV
Name	4-[(2-imino-5-iodo-4,6-dioxohexahydro-5-pyrimidinyl)methyl]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/C12H10IN3O4/c13-12(9(19)15-11(14)16-10(12)20)5-6-1-3-7(4-2-6)8(17)18/h1-4H,5H2,(H,17,18)(H3,14,15,16,19,20)
InChIKey	XXRCWODFXLJTQM-UHFFFAOYSA-N
NMR Offset	17.1563
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_14776
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: 987/00000550; Labnumber: 987/00000550218805; VK_ID: VK-014781
Temperature	308 °C