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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 4D0oavfx4s3
Name ANHYDRO-3-MERCAPTO-4-ETHYL-1-METHYL-5-(3',5'-DIAMINO-2'-PYRAZINYL)-1,2,4-TRIAZOLIUM-HYDROXIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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
Literature Reference Author G.M.SHUTSKE,M.N.AGNEW
Literature Reference Citation J.HETCYCL.CHEM.,18,1025(1981)
Literature Reference DOI 10.1002/jhet.5570180534
Molecular Weight 251.309 g/mol
Solvent DMSO-D6
Source File Reference UWED7479