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Xanthine
SpectraBase Compound ID JRUx3fgMYn6
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)
InChIKey LRFVTYWOQMYALW-UHFFFAOYSA-N
Mol Weight 152.11 g/mol
Molecular Formula C5H4N4O2
Exact Mass 152.033425 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1unYDO2kmXx
Name Xanthine
CAS Registry Number 69-89-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C5H4N4O2
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)
InChIKey LRFVTYWOQMYALW-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference B. Coxon, A.J. Fatiadi, L.T. Sniegoski, J. Org. Chem. 42, 3132 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6