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

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ANHYDRO-3-MERCAPTO-4-ETHYL-1-METHYL-5-(2'-PYRAZINYL)-1,2,4-TRIAZOLIUM-HYDROXIDE
SpectraBase Compound ID FqxZT6MBpJK
InChI InChI=1S/C9H11N5S/c1-3-14-8(13(2)12-9(14)15)7-6-10-4-5-11-7/h4-6H,3H2,1-2H3
InChIKey WSFTXIMCBREPGF-UHFFFAOYSA-N
Mol Weight 221.28 g/mol
Molecular Formula C9H11N5S
Exact Mass 221.073517 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1mlTfEYmvKS
Name 4-ETHYL-3-MERCAPTO-1-METHYL-5-PYRAZINYL-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 C9H11N5S
InChI InChI=1S/C9H11N5S/c1-3-14-8(13(2)12-9(14)15)7-6-10-4-5-11-7/h4-6H,3H2,1-2H3
InChIKey WSFTXIMCBREPGF-UHFFFAOYSA-N
Molecular Weight 221.29
Solvent Dimethyl sulfoxide-d6; Reference=TMS; Temperature=Ambient Spectrometer= Jeol FX-60
Synonyms TRIAZOLIUM HYDROXIDE, 4H-1,2,4-, 4-ETHYL-3-MERCAPTO-1-METHYL-5-PYRAZINYL-, INNER SALT