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3,5-Diamino-N-(methylamino-methylammonium-methylidenyl)-6-chloro-pyrazinecarboxamide cation
SpectraBase Compound ID Jx9QG8s4NCF
InChI InChI=1S/C8H12ClN7O/c1-12-8(13-2)16-7(17)3-5(10)15-6(11)4(9)14-3/h1-2H3,(H4,10,11,15)(H2,12,13,16,17)/p+1
InChIKey LZIUVLYHFLAYSJ-UHFFFAOYSA-O
Mol Weight 258.69 g/mol
Molecular Formula C8H13ClN7O
Exact Mass 258.087011 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IDopPumBpyj
Name 3,5-Diamino-N-(methylamino-methylammonium-methylidenyl)-6-chloro-pyrazinecarboxamide cation
Comments MEASURED AS HYDROCHLORIDE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H13ClN7O
InChI InChI=1S/C8H12ClN7O/c1-12-8(13-2)16-7(17)3-5(10)15-6(11)4(9)14-3/h1-2H3,(H4,10,11,15)(H2,12,13,16,17)/p+1
InChIKey LZIUVLYHFLAYSJ-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