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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 2etQwzSHuu3
Name ANHYDRO-3-MERCAPTO-1-METHYL-4-PHENYL-5-(3',5'-DIAMINO-6'-CHLORO-2'-PYRAZINYL)-1,2,4-TRIAZOLIUM-HYDROXIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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
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 333.798 g/mol
Solvent DMSO-D6
Source File Reference UWED7481