For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2-METHYL-4-PHENYL-5-(3',5'-DIAMINO-6'-CHLORO-2'-PYRAZINYL)-1,2,4-TRIAZOLE-3-THIONE

View entire compound with spectra: 2 NMR

2-METHYL-4-PHENYL-5-(3',5'-DIAMINO-6'-CHLORO-2'-PYRAZINYL)-1,2,4-TRIAZOLE-3-THIONE
SpectraBase Compound ID Hgo2Lt5KeKb
InChI InChI=1S/C13H12ClN7S/c1-20-13(22)21(7-5-3-2-4-6-7)12(19-20)8-10(15)18-11(16)9(14)17-8/h2-6H,1H3,(H4,15,16,18)
InChIKey SHPYJRVJEVFASO-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

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID CMUENOvqzNf
Name 2-METHYL-4-PHENYL-5-(3',5'-DIAMINO-6'-CHLORO-2'-PYRAZINYL)-1,2,4-TRIAZOLE-3-THIONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H12ClN7S
InChI InChI=1S/C13H12ClN7S/c1-20-13(22)21(7-5-3-2-4-6-7)12(19-20)8-10(15)18-11(16)9(14)17-8/h2-6H,1H3,(H4,15,16,18)
InChIKey SHPYJRVJEVFASO-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 UWED7486