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2,4,6(1H,3H,5H)-pyrimidinetrione, 5-[[[6-[[(tetrahydro-2,4,6-trioxo-5(2H)-pyrimidinylidene)methyl]amino]-2-pyridinyl]amino]methylene]-

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2,4,6(1H,3H,5H)-pyrimidinetrione, 5-[[[6-[[(tetrahydro-2,4,6-trioxo-5(2H)-pyrimidinylidene)methyl]amino]-2-pyridinyl]amino]methylene]-
SpectraBase Compound ID EIxSJMLOjhs
InChI InChI=1S/C15H11N7O6/c23-10-6(11(24)20-14(27)19-10)4-16-8-2-1-3-9(18-8)17-5-7-12(25)21-15(28)22-13(7)26/h1-5H,(H2,16,17,18)(H2,19,20,23,24,27)(H2,21,22,25,26,28)
InChIKey KYBTWGSOCQAMFO-UHFFFAOYSA-N
Mol Weight 385.3 g/mol
Molecular Formula C15H11N7O6
Exact Mass 385.077081 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AuCKeqNt4Xr
Name 2,4,6(1H,3H,5H)-pyrimidinetrione, 5-[[[6-[[(tetrahydro-2,4,6-trioxo-5(2H)-pyrimidinylidene)methyl]amino]-2-pyridinyl]amino]methylene]-
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/C15H11N7O6/c23-10-6(11(24)20-14(27)19-10)4-16-8-2-1-3-9(18-8)17-5-7-12(25)21-15(28)22-13(7)26/h1-5H,(H2,16,17,18)(H2,19,20,23,24,27)(H2,21,22,25,26,28)
InChIKey KYBTWGSOCQAMFO-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_3754
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-205/5057819; Labnumber: MAR-970; IOH_ID: IOH-010757