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2,4,6(1H,3H,5H)-pyrimidinetrione, 5-[[(1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxobenzo[g]pteridin-8-yl)amino]methylene]-
SpectraBase Compound ID B5saTURa8TN
InChI InChI=1S/C17H13N7O5/c1-23-12-11(15(27)24(2)17(23)29)19-9-4-3-7(5-10(9)20-12)18-6-8-13(25)21-16(28)22-14(8)26/h3-6,18H,1-2H3,(H2,21,22,25,26,28)
InChIKey DEMZQKUYXKOCAU-UHFFFAOYSA-N
Mol Weight 395.34 g/mol
Molecular Formula C17H13N7O5
Exact Mass 395.097817 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2g9z4IeTZmK
Name 2,4,6(1H,3H,5H)-pyrimidinetrione, 5-[[(1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxobenzo[g]pteridin-8-yl)amino]methylene]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 395.097816542 u
Formula C17H13N7O5
InChI InChI=1S/C17H13N7O5/c1-23-12-11(15(27)24(2)17(23)29)19-9-4-3-7(5-10(9)20-12)18-6-8-13(25)21-16(28)22-14(8)26/h3-6,18H,1-2H3,(H2,21,22,25,26,28)
InChIKey DEMZQKUYXKOCAU-UHFFFAOYSA-N
Molecular Weight 395.335 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_224
Solvent DMSO-d6
Source Vendor ID: NMR/13238522