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Xanthinate anion
SpectraBase Compound ID JRUxzkBGmEe
InChI InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)/p-1
InChIKey LRFVTYWOQMYALW-UHFFFAOYSA-M
Mol Weight 151.1 g/mol
Molecular Formula C5H3N4O2
Exact Mass 151.0256 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3sThoXUfIC8
Name Xanthinate anion
CAS Registry Number 64482-88-8
Comments PD = 13, REASSIGNED (A.H.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C5H3N4O2
InChI InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)/p-1
InChIKey LRFVTYWOQMYALW-UHFFFAOYSA-M
Instrument Name Varian XL-100
Literature Reference L.G. Purnell, D.J. Hodgson, Org. Magn. Resonance 10, 1 (1977).
NMR Standard Dioxane
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O