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4-Oxo-3,4-dihydro-pteridine cation

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4-Oxo-3,4-dihydro-pteridine cation
SpectraBase Compound ID IfZqOaXR4U8
InChI InChI=1S/C6H4N4O/c11-6-4-5(9-3-10-6)8-2-1-7-4/h1-3H,(H,8,9,10,11)/p+1
InChIKey UWWUXWWWOUNMKW-UHFFFAOYSA-O
Mol Weight 149.13 g/mol
Molecular Formula C6H5N4O
Exact Mass 149.046336 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IB0mqhoqvIb
Name 4-Oxo-3,4-dihydro-pteridine cation
Comments SHIFTS CORRESPOND TO MONOPROTONATION AT N1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6H5N4O
InChI InChI=1S/C6H4N4O/c11-6-4-5(9-3-10-6)8-2-1-7-4/h1-3H,(H,8,9,10,11)/p+1
InChIKey UWWUXWWWOUNMKW-UHFFFAOYSA-O
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 CF3COOH