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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 Df6BLtNBMyI
Name ANHYDRO-3-MERCAPTO-1-METHYL-4-PROPENYL-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 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
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 263.320 g/mol
Solvent DMSO-D6
Source File Reference UWED7478