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ANHYDRO-3-MERCAPTO-4-ETHYL-1-METHYL-5-(3',5'-DIAMINO-2'-PYRAZINYL)-1,2,4-TRIAZOLIUM-HYDROXIDE

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ANHYDRO-3-MERCAPTO-4-ETHYL-1-METHYL-5-(3',5'-DIAMINO-2'-PYRAZINYL)-1,2,4-TRIAZOLIUM-HYDROXIDE
SpectraBase Compound ID JkWdiQbnHsp
InChI InChI=1S/C9H13N7S/c1-3-16-8(15(2)14-9(16)17)6-7(11)13-5(10)4-12-6/h4H,3H2,1-2H3,(H4,10,11,13,14,17)
InChIKey CDYBJUOPWJZBFS-UHFFFAOYSA-N
Mol Weight 251.31 g/mol
Molecular Formula C9H13N7S
Exact Mass 251.095315 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IaMSMagtA7P
Name 5-(3,5-Diamino-2-pyrazinyl)-1-methyl-4-ethyl-1,2,4-triazol-3-thiol
CAS Registry Number 79998-13-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H13N7S
InChI InChI=1S/C9H13N7S/c1-3-16-8(15(2)14-9(16)17)6-7(11)13-5(10)4-12-6/h4H,3H2,1-2H3,(H4,10,11,13,14,17)
InChIKey CDYBJUOPWJZBFS-UHFFFAOYSA-N
Instrument Name Jeol FX-60
Literature Reference G.M. Shutske, M.N. Agnew, J. Heterocycl. Chem. 18, 1025 (1981).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6