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Purine
SpectraBase Compound ID H97uewxwp4t
InChI InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)
InChIKey KDCGOANMDULRCW-UHFFFAOYSA-N
Mol Weight 120.11 g/mol
Molecular Formula C5H4N4
Exact Mass 120.043596 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5X1ddxnjCBS
Name PURIN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C5H4N4
InChI InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)
InChIKey KDCGOANMDULRCW-UHFFFAOYSA-N
Literature Reference Author R.J.PUGMIRE,D.M.GRANT,R.K.ROBINS,G.W.RHODES
Literature Reference Citation J.AM.CHEM.SOC.,87,2225(1965)
Literature Reference DOI 10.1021/ja01088a023
Molecular Weight 120.114 g/mol
Solvent CDCl3
Source File Reference UNIW3511