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3,5-Diamino-N-(amino-ammonium-methylidenyl)-6-bromo-pyrazine-carboxamide cation
SpectraBase Compound ID 7cW4Mr6d5PH
InChI InChI=1S/C6H8BrN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)/p+1
InChIKey BHMQVZXIGQOCNL-UHFFFAOYSA-O
Mol Weight 275.09 g/mol
Molecular Formula C6H9BrN7O
Exact Mass 274.005196 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AyaX0BcK6rE
Name 3,5-Diamino-N-(amino-ammonium-methylidenyl)-6-bromo-pyrazine-carboxamide cation
Comments MEASURED AS HYDROCHLORIDE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6H9BrN7O
InChI InChI=1S/C6H8BrN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)/p+1
InChIKey BHMQVZXIGQOCNL-UHFFFAOYSA-O
Instrument Name Varian CFT-20
Literature Reference R.L. Smith, D.W. Cochran, P.Gund, J. Am. Chem. Soc. 101, 191 (1979).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6