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

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ANHYDRO-3-MERCAPTO-1-METHYL-4-PHENYL-5-(3'-AMINO-2'-PYRAZINYL)-1,2,4-TRIAZOLIUM-HYDROXIDE
SpectraBase Compound ID DAZ5l6wVBp1
InChI InChI=1S/C13H12N6S/c1-18-12(10-11(14)16-8-7-15-10)19(13(20)17-18)9-5-3-2-4-6-9/h2-8,14H,1H3,(H,17,20)
InChIKey AXIPUVDPYXFKRY-UHFFFAOYSA-N
Mol Weight 284.34 g/mol
Molecular Formula C13H12N6S
Exact Mass 284.084416 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KDomLviMW8h
Name ANHYDRO-3-MERCAPTO-1-METHYL-4-PHENYL-5-(3'-AMINO-2'-PYRAZINYL)-1,2,4-TRIAZOLIUM-HYDROXIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H12N6S
InChI InChI=1S/C13H12N6S/c1-18-12(10-11(14)16-8-7-15-10)19(13(20)17-18)9-5-3-2-4-6-9/h2-8,14H,1H3,(H,17,20)
InChIKey AXIPUVDPYXFKRY-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 284.338 g/mol
Solvent DMSO-D6
Source File Reference UWED7474