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

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ANHYDRO-3-MERCAPTO-1-METHYL-4-PROPENYL-5-(3',5'-DIAMINO-2'-PYRAZINYL)-1,2,4-TRIAZOLIUM-HYDROXIDE
SpectraBase Compound ID 8OnSA7VgQQc
InChI InChI=1S/C10H13N7S/c1-3-4-17-9(16(2)15-10(17)18)7-8(12)14-6(11)5-13-7/h3,5H,1,4H2,2H3,(H4,11,12,14,15,18)
InChIKey IGKGKAUXZJANTI-UHFFFAOYSA-N
Mol Weight 263.32 g/mol
Molecular Formula C10H13N7S
Exact Mass 263.095315 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HGUtDj9siFo
Name 5-(3,5-Diamino-2-pyrazinyl)-1-methyl-4-allyl-1,2,4-triazol-3-thiol
CAS Registry Number 79998-12-2
Comments reassigned
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H13N7S
InChI InChI=1S/C10H13N7S/c1-3-4-17-9(16(2)15-10(17)18)7-8(12)14-6(11)5-13-7/h3,5H,1,4H2,2H3,(H4,11,12,14,15,18)
InChIKey IGKGKAUXZJANTI-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