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1-methylol-3a,4,6,6a-tetrahydro-3H-imidazo[5,4-d]imidazole-2,5-quinone
SpectraBase Compound ID Ljw1CmTdZVr
InChI InChI=1S/C5H8N4O3/c10-1-9-3-2(7-5(9)12)6-4(11)8-3/h2-3,10H,1H2,(H,7,12)(H2,6,8,11)
InChIKey CLVKBGZVUXGBGH-UHFFFAOYSA-N
Mol Weight 172.14 g/mol
Molecular Formula C5H8N4O3
Exact Mass 172.05964 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CGDQHgvNyvS
Name 1-methylol-3a,4,6,6a-tetrahydro-3H-imidazo[5,4-d]imidazole-2,5-quinone
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C5H8N4O3
InChI InChI=1S/C5H8N4O3/c10-1-9-3-2(7-5(9)12)6-4(11)8-3/h2-3,10H,1H2,(H,7,12)(H2,6,8,11)
InChIKey CLVKBGZVUXGBGH-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2006)
Molecular Weight 172.144 g/mol
Source File Reference MHKO8402