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JRQUKRBDGXUQLX-UHFFFAOYSA-N
SpectraBase Compound ID JMhzGF220ll
InChI InChI=1S/C5H3BrN4O2/c1-9-3(2-7)4(10(11)12)8-5(9)6/h1H3
InChIKey JRQUKRBDGXUQLX-UHFFFAOYSA-N
Mol Weight 231.01 g/mol
Molecular Formula C5H3BrN4O2
Exact Mass 229.943938 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3a3KDMnGvAX
Name 2-BROMO-5-CYANO-1-METHYL-4-NITROIMIDAZOLE
Compound Number 3 'B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C5H3BrN4O2
InChI InChI=1S/C5H3BrN4O2/c1-9-3(2-7)4(10(11)12)8-5(9)6/h1H3
InChIKey JRQUKRBDGXUQLX-UHFFFAOYSA-N
Literature Reference Author G.CHAUVIERE,C.VIODE,J.PERIE
Literature Reference Citation J.HETCYCL.CHEM.,37,119(2000)
Literature Reference DOI 10.1002/jhet.5570370120
Molecular Weight 231.008 g/mol
Solvent DMSO-D6
Source File Reference UWSI24551