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

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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 HC8NRRBVi3M
Name 5-(3-AMINOPYRAZINYL)-4-ETHYL-3-MERCAPTO-1-METHYL-4H-1,2,4-TRIAZOLIUMHYDROXIDE, INNER SALT
Source of Sample G. M. Shutske, M. N. Agnew J. Heterocyclic Chem. 18, 1025(1981)
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. 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
Molecular Weight 236.30
Solvent Dimethyl sulfoxide-d6; Reference=TMS; Temperature=Ambient Spectrometer= Jeol FX-60
Synonyms TRIAZOLIUM HYDROXIDE, 4H-1,2,4-, 5-/3-AMINOPYRAZINYL/-4-ETHYL- 3-MERCAPTO-1-METHYL-, INNER SALT