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

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ANHYDRO-3-MERCAPTO-1-METHYL-4-PHENYL-5-(3'-ACETAMIDO-2'-PYRAZINYL)-1,2,4-TRIAZOLIUM-HYDROXIDE
SpectraBase Compound ID EHkeDLL9TNV
InChI InChI=1S/C15H14N6OS/c1-10(22)18-13-12(16-8-9-17-13)14-20(2)19-15(23)21(14)11-6-4-3-5-7-11/h3-9H,1-2H3,(H,19,23)
InChIKey DHRHFQKXIZOTFY-UHFFFAOYSA-N
Mol Weight 326.38 g/mol
Molecular Formula C15H14N6OS
Exact Mass 326.09498 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2uz7HEviWYg
Name 5-(3-Acetamido-2-pyrazinyl)-1-methyl-4-phenyl-1,2,4-triazol-3-thiol
CAS Registry Number 79998-06-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C15H14N6OS
InChI InChI=1S/C15H14N6OS/c1-10(22)18-13-12(16-8-9-17-13)14-20(2)19-15(23)21(14)11-6-4-3-5-7-11/h3-9H,1-2H3,(H,19,23)
InChIKey DHRHFQKXIZOTFY-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