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3-Amino-5-ethylamino-N-(amino-ammonium-methylidenyl)-6-chloro-pyrazine-carboxamide cation
SpectraBase Compound ID 7T51Aew19Bi
InChI InChI=1S/C8H12ClN7O/c1-2-13-6-4(9)14-3(5(10)15-6)7(17)16-8(11)12/h2H2,1H3,(H3,10,13,15)(H4,11,12,16,17)/p+1
InChIKey TUBVSPUFLVEWKZ-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 6m1tdDBZ5gM
Name 3-Amino-5-ethylamino-N-(amino-ammonium-methylidenyl)-6-chloro-pyrazine-carboxamide cation
Comments MEASURED AS HYDROCHLORIDE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H13ClN7O
InChI InChI=1S/C8H12ClN7O/c1-2-13-6-4(9)14-3(5(10)15-6)7(17)16-8(11)12/h2H2,1H3,(H3,10,13,15)(H4,11,12,16,17)/p+1
InChIKey TUBVSPUFLVEWKZ-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