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

View entire compound with spectra: 2 NMR

ANHYDRO-3-MERCAPTO-1-METHYL-4-PHENYL-5-(2'-PYRAZINYL)-1,2,4-TRIAZOLIUM-HYDROXIDE
SpectraBase Compound ID 4W5Dd6XN3vO
InChI InChI=1S/C13H11N5S/c1-17-12(11-9-14-7-8-15-11)18(13(19)16-17)10-5-3-2-4-6-10/h2-9H,1H3
InChIKey DWDURNYCPMBHQL-UHFFFAOYSA-N
Mol Weight 269.33 g/mol
Molecular Formula C13H11N5S
Exact Mass 269.073517 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bvtwg6E0Sqc
Name 5-(2-Pyrazinyl)-1-methyl-4-phenyl-1,2,4-triazol-3-thiol
CAS Registry Number 79998-04-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H11N5S
InChI InChI=1S/C13H11N5S/c1-17-12(11-9-14-7-8-15-11)18(13(19)16-17)10-5-3-2-4-6-10/h2-9H,1H3
InChIKey DWDURNYCPMBHQL-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