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ANHYDRO-3-MERCAPTO-4-ETHYL-1-METHYL-5-(3'-AMINO-2'-PYRAZINYL)-1,2,4-TRIAZOLIUM-HYDROXIDE
SpectraBase Compound ID KHWB7RAwGoD
InChI InChI=1S/C9H12N6S/c1-3-15-8(14(2)13-9(15)16)6-7(10)12-5-4-11-6/h4-5,10H,3H2,1-2H3,(H,13,16)
InChIKey MSNGUICRFLENBW-UHFFFAOYSA-N
Mol Weight 236.3 g/mol
Molecular Formula C9H12N6S
Exact Mass 236.084416 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H7sJyd3lONv
Name ANHYDRO-3-MERCAPTO-4-ETHYL-1-METHYL-5-(3'-AMINO-2'-PYRAZINYL)-1,2,4-TRIAZOLIUM-HYDROXIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H12N6S
InChI InChI=1S/C9H12N6S/c1-3-15-8(14(2)13-9(15)16)6-7(10)12-5-4-11-6/h4-5,10H,3H2,1-2H3,(H,13,16)
InChIKey MSNGUICRFLENBW-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 236.294 g/mol
Solvent DMSO-D6
Source File Reference UWED7476