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4-(benzyl)-5-methyl-2-(methylthio)-[1,2,4]triazolo[5,1-b]pyrimidin-7-one
SpectraBase Compound ID AgrM6sKS2WE
InChI InChI=1S/C14H14N4OS/c1-10-8-12(19)18-14(15-13(16-18)20-2)17(10)9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChIKey JNHHBWCDOSHDIA-UHFFFAOYSA-N
Mol Weight 286.35 g/mol
Molecular Formula C14H14N4OS
Exact Mass 286.088832 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JXmd8OZx0HY
Name 4-(benzyl)-5-methyl-2-(methylthio)-[1,2,4]triazolo[5,1-b]pyrimidin-7-one
Compound Number 3A/6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H14N4OS
InChI InChI=1S/C14H14N4OS/c1-10-8-12(19)18-14(15-13(16-18)20-2)17(10)9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChIKey JNHHBWCDOSHDIA-UHFFFAOYSA-N
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 286.351 g/mol
Solvent CDCl3
Source File Reference UWLU21014