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

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ANHYDRO-3-MERCAPTO-1-METHYL-4(PARA-FLUORO-PHENYL)-5-(3',5'-DIAMINO-6'-CHLORO-2'-PYRAZINYL)-1,2,4-TRIAZOLIUM-HYDROXIDE
SpectraBase Compound ID ETBSO0h2xv2
InChI InChI=1S/C13H11ClFN7S/c1-21-12(8-10(16)19-11(17)9(14)18-8)22(13(23)20-21)7-4-2-6(15)3-5-7/h2-5H,1H3,(H4,16,17,19,20,23)
InChIKey IUBCKOBLOLCFFQ-UHFFFAOYSA-N
Mol Weight 351.79 g/mol
Molecular Formula C13H11ClFN7S
Exact Mass 351.04692 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4kKTBl0t6On
Name ANHYDRO-3-MERCAPTO-1-METHYL-4(PARA-FLUORO-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 C13H11ClFN7S
InChI InChI=1S/C13H11ClFN7S/c1-21-12(8-10(16)19-11(17)9(14)18-8)22(13(23)20-21)7-4-2-6(15)3-5-7/h2-5H,1H3,(H4,16,17,19,20,23)
InChIKey IUBCKOBLOLCFFQ-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 351.789 g/mol
Solvent DMSO-D6
Source File Reference UWED7480