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5-Bromo-1,3-dinitro-5-(ammonium-methyl)-1,3-diaza-cyclohexane cation
SpectraBase Compound ID EzWqAP6zqvq
InChI InChI=1S/C5H10BrN5O4/c6-5(1-7)2-8(10(12)13)4-9(3-5)11(14)15/h1-4,7H2/p+1
InChIKey DUJPTEXGWNOQAM-UHFFFAOYSA-O
Mol Weight 285.08 g/mol
Molecular Formula C5H11BrN5O4
Exact Mass 283.999442 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4QissIiXudt
Name 5-Bromo-1,3-dinitro-5-(ammonium-methyl)-1,3-diaza-cyclohexane cation
Comments NITRATE
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Formula C5H11BrN5O4
InChI InChI=1S/C5H10BrN5O4/c6-5(1-7)2-8(10(12)13)4-9(3-5)11(14)15/h1-4,7H2/p+1
InChIKey DUJPTEXGWNOQAM-UHFFFAOYSA-O
Instrument Name Bruker WH-90
Literature Reference A. Edwards, G.A. Webb, J. Chem. Soc. Perkin I 1989 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6