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ANHYDRO-3-MERCAPTO-1-METHYL-4-PHENYL-5-(3',5'-DIAMINO-6'-CHLORO-2'-PYRAZINYL)-1,2,4-TRIAZOLIUM-HYDROXIDE

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ANHYDRO-3-MERCAPTO-1-METHYL-4-PHENYL-5-(3',5'-DIAMINO-6'-CHLORO-2'-PYRAZINYL)-1,2,4-TRIAZOLIUM-HYDROXIDE
SpectraBase Compound ID 2tjR9MvMcui
InChI InChI=1S/C13H12ClN7S/c1-20-12(8-10(15)18-11(16)9(14)17-8)21(13(22)19-20)7-5-3-2-4-6-7/h2-6H,1H3,(H4,15,16,18,19,22)
InChIKey ZXRGWKFNJPMORZ-UHFFFAOYSA-N
Mol Weight 333.8 g/mol
Molecular Formula C13H12ClN7S
Exact Mass 333.056342 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3gJVr2jOaQ8
Name 5-(3,5-Diamino-6-chloro-2-pyrazinyl)-1-methyl-4-phenyl-1,2,4-triazol-3-thiol
CAS Registry Number 79998-15-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H12ClN7S
InChI InChI=1S/C13H12ClN7S/c1-20-12(8-10(15)18-11(16)9(14)17-8)21(13(22)19-20)7-5-3-2-4-6-7/h2-6H,1H3,(H4,15,16,18,19,22)
InChIKey ZXRGWKFNJPMORZ-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