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2,4-Dioxo-1,2,3,4-tetrahydro-pteridinate dication

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2,4-Dioxo-1,2,3,4-tetrahydro-pteridinate dication
SpectraBase Compound ID A6EYaRyPMk3
InChI InChI=1S/C6H4N4O2/c11-5-3-4(8-2-1-7-3)9-6(12)10-5/h1-2H,(H2,8,9,10,11,12)/p+2
InChIKey UYEUUXMDVNYCAM-UHFFFAOYSA-P
Mol Weight 166.14 g/mol
Molecular Formula C6H6N4O2
Exact Mass 166.049075 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2JYCOyvhUmP
Name 2,4-Dioxo-1,2,3,4-tetrahydro-pteridinate dication
Comments SHIFTS CORRESPOND TO DIPROTONATION AT O2 AND N5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6H6N4O2
InChI InChI=1S/C6H4N4O2/c11-5-3-4(8-2-1-7-3)9-6(12)10-5/h1-2H,(H2,8,9,10,11,12)/p+2
InChIKey UYEUUXMDVNYCAM-UHFFFAOYSA-P
Instrument Name Bruker HX-90
Literature Reference U. Ewers, H. Guenther, Chem. Ber. 107, 3275 (1974).
NMR Standard Dioxane
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent FSO3H/FSO2Cl