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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 7l2hialcA11
Name ANHYDRO-3-MERCAPTO-1-METHYL-4-PHENYL-5-(3'-ACETAMIDO-2'-PYRAZINYL)-1,2,4-TRIAZOLIUM-HYDROXIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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
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 326.376 g/mol
Solvent DMSO-D6
Source File Reference UWED7473