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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 B3JxH1meTdx
Name XANTHIN
CAS Registry Number 69-89-6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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
Literature Reference Author L.G.PURNELL,D.J.HODGSON
Literature Reference Citation ORG.MAGN.RES.,10,1(1977)
Literature Reference DOI 10.1002/mrc.1270100102
Molecular Weight 152.112 g/mol
Solvent D2O
Source File Reference UNIW4349