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(+/-)-N(9)-(4-HYDROXY-1,2-BUTADIEN-1-YL)-HYPOXANTHINE;HYPOXALLENE
SpectraBase Compound ID 5K5SzKc2bEU
InChI InChI=1S/C9H8N4O2/c14-4-2-1-3-13-6-12-7-8(13)10-5-11-9(7)15/h2-3,5-6,14H,4H2,(H,10,11,15)
InChIKey CTHBPLUUXNJDGT-UHFFFAOYSA-N
Mol Weight 204.19 g/mol
Molecular Formula C9H8N4O2
Exact Mass 204.064726 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 78hvMBKtAYH
Name (+/-)-N(9)-(4-HYDROXY-1,2-BUTADIEN-1-YL)-HYPOXANTHINE;HYPOXALLENE
Compound Number 3H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H8N4O2
InChI InChI=1S/C9H8N4O2/c14-4-2-1-3-13-6-12-7-8(13)10-5-11-9(7)15/h2-3,5-6,14H,4H2,(H,10,11,15)
InChIKey CTHBPLUUXNJDGT-UHFFFAOYSA-N
Literature Reference Author S.PHADTARE,J.ZEMLICKA
Literature Reference Citation J.AM.CHEM.SOC.,111,5925(1989)
Literature Reference DOI 10.1021/ja00197a063
Molecular Weight 204.188 g/mol
Solvent DMSO-D6
Source File Reference UWCS12777