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2,4,6(1H,3H,5H)-pyrimidinetrione, 5-[[(3-hexyl-1,2,3,4-tetrahydro-7-methyl-2,4-dioxobenzo[g]pteridin-8-yl)amino]methylene]-1-methyl-, (5E)-
SpectraBase Compound ID DdLIngaRl4P
InChI InChI=1S/C23H25N7O5/c1-4-5-6-7-8-30-21(33)17-18(27-23(30)35)26-16-10-14(12(2)9-15(16)25-17)24-11-13-19(31)28-22(34)29(3)20(13)32/h9-11,24H,4-8H2,1-3H3,(H,26,27,35)(H,28,31,34)/b13-11+
InChIKey KYYTVPXOFOJZNQ-ACCUITESSA-N
Mol Weight 479.5 g/mol
Molecular Formula C23H25N7O5
Exact Mass 479.191717 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LqL7NctJ2Cm
Name 2,4,6(1H,3H,5H)-pyrimidinetrione, 5-[[(3-hexyl-1,2,3,4-tetrahydro-7-methyl-2,4-dioxobenzo[g]pteridin-8-yl)amino]methylene]-1-methyl-, (5E)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 479.191716928 u
Formula C23H25N7O5
InChI InChI=1S/C23H25N7O5/c1-4-5-6-7-8-30-21(33)17-18(27-23(30)35)26-16-10-14(12(2)9-15(16)25-17)24-11-13-19(31)28-22(34)29(3)20(13)32/h9-11,24H,4-8H2,1-3H3,(H,26,27,35)(H,28,31,34)/b13-11+
InChIKey KYYTVPXOFOJZNQ-ACCUITESSA-N
Molecular Weight 479.497 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_229
Solvent DMSO-d6
Source Vendor ID: NMR/13238527