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

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ANHYDRO-3-MERCAPTO-4-CYCLOHEXYL-1-METHYL-5-(2'-PYRAZINYL)-1,2,4-TRIAZOLIUM-HYDROXIDE
SpectraBase Compound ID J5tSRp61EZX
InChI InChI=1S/C13H17N5S/c1-17-12(11-9-14-7-8-15-11)18(13(19)16-17)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3
InChIKey PHCPNMKGJXSHAX-UHFFFAOYSA-N
Mol Weight 275.37 g/mol
Molecular Formula C13H17N5S
Exact Mass 275.120467 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5rkf8FMeUYh
Name ANHYDRO-3-MERCAPTO-4-CYCLOHEXYL-1-METHYL-5-(2'-PYRAZINYL)-1,2,4-TRIAZOLIUM-HYDROXIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H17N5S
InChI InChI=1S/C13H17N5S/c1-17-12(11-9-14-7-8-15-11)18(13(19)16-17)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3
InChIKey PHCPNMKGJXSHAX-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 275.371 g/mol
Solvent DMSO-D6
Source File Reference UWED7472