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5-PHENYL-7H,8H-PYRIMIDO-[1,6-B]-PYRIDAZIN-6,8-DIONE
SpectraBase Compound ID C9XUqEaPdSL
InChI InChI=1S/C13H9N3O2/c17-12-11(9-5-2-1-3-6-9)10-7-4-8-14-16(10)13(18)15-12/h1-8H,(H,15,17,18)
InChIKey RCKXDILZFJHRBI-UHFFFAOYSA-N
Mol Weight 239.23 g/mol
Molecular Formula C13H9N3O2
Exact Mass 239.069477 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G4xdhAGPSef
Name 5-PHENYL-7H,8H-PYRIMIDO-[1,6-B]-PYRIDAZIN-6,8-DIONE
Compound Number 4F'
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H9N3O2
InChI InChI=1S/C13H9N3O2/c17-12-11(9-5-2-1-3-6-9)10-7-4-8-14-16(10)13(18)15-12/h1-8H,(H,15,17,18)
InChIKey RCKXDILZFJHRBI-UHFFFAOYSA-N
Literature Reference Author F.HEROLD,M.KALUCKA,M.KROL,J.HEROLD,J.KLEPS,J.TURLO
Literature Reference Citation MOLECULES,12,2643(2007)
Literature Reference DOI 10.3390/12122643
Molecular Weight 239.233 g/mol
Sample ID 57540
Solvent CDCl3