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

View entire compound with spectra: 3 NMR

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 9Jn9rVG20Pg
Name 5-(2-Pyrazinyl)-1-methyl-4-ethyl-1,2,4-triazol-3-thiol
CAS Registry Number 79998-03-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
Instrument Name Jeol FX-60
Literature Reference G.M. Shutske, M.N. Agnew, J. Heterocycl. Chem. 18, 1025 (1981).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6