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5-methyl-2-methylsulfanyl-[1,2,4]triazolo[5,1-b]pyrimidin-7-olate; tetrabutylazanium
SpectraBase Compound ID LsidF26uhrF
InChI InChI=1S/C16H36N.C7H8N4OS/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-4-3-5(12)11-6(8-4)9-7(10-11)13-2/h5-16H2,1-4H3;3,12H,1-2H3/q+1;/p-1
InChIKey YYVPUGUYKDGVQP-UHFFFAOYSA-M
Mol Weight 437.69 g/mol
Molecular Formula C23H43N5OS
Exact Mass 437.318832 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 31qmkyeBnC0
Name 5-methyl-2-methylsulfanyl-[1,2,4]triazolo[5,1-b]pyrimidin-7-olate; tetrabutylazanium
Compound Number 13A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H43N5OS
InChI InChI=1S/C16H36N.C7H8N4OS/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-4-3-5(12)11-6(8-4)9-7(10-11)13-2/h5-16H2,1-4H3;3,12H,1-2H3/q+1;/p-1
InChIKey YYVPUGUYKDGVQP-UHFFFAOYSA-M
Literature Reference Author G.BERECZ,J.REITER
Literature Reference Citation J.HETCYCL.CHEM.,38,237(2001)
Literature Reference DOI 10.1002/jhet.5570380136
Molecular Weight 437.687 g/mol
Solvent CDCl3
Source File Reference UWLU21002