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2,4,6(1H,3H,5H)-pyrimidinetrione, 5-[[(3-hexyl-1,2,3,4-tetrahydro-2,4-dioxobenzo[g]pteridin-8-yl)amino]methylene]-
SpectraBase Compound ID Jne1X42OGNZ
InChI InChI=1S/C21H21N7O5/c1-2-3-4-5-8-28-19(31)15-16(25-21(28)33)24-14-9-11(6-7-13(14)23-15)22-10-12-17(29)26-20(32)27-18(12)30/h6-7,9-10,22H,2-5,8H2,1H3,(H,24,25,33)(H2,26,27,29,30,32)
InChIKey AJZLIOZCGJIIJW-UHFFFAOYSA-N
Mol Weight 451.44 g/mol
Molecular Formula C21H21N7O5
Exact Mass 451.160417 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2Fkr6xy3hgD
Name 2,4,6(1H,3H,5H)-pyrimidinetrione, 5-[[(3-hexyl-1,2,3,4-tetrahydro-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 451.160416799 u
Formula C21H21N7O5
InChI InChI=1S/C21H21N7O5/c1-2-3-4-5-8-28-19(31)15-16(25-21(28)33)24-14-9-11(6-7-13(14)23-15)22-10-12-17(29)26-20(32)27-18(12)30/h6-7,9-10,22H,2-5,8H2,1H3,(H,24,25,33)(H2,26,27,29,30,32)
InChIKey AJZLIOZCGJIIJW-UHFFFAOYSA-N
Molecular Weight 451.443 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_228
Solvent DMSO-d6
Source Vendor ID: NMR/13238526