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6-AMINO-5-CYANO-1-(2,3-DIHYDROBENZO-[B]-[1,4]-DIOXIN-6-YL)-4-(4-METHYLPHENYL)-2(1H)-PYRIMIDINONE
SpectraBase Compound ID 1YaTPzKhCcO
InChI InChI=1S/C20H16N4O3/c1-12-2-4-13(5-3-12)18-15(11-21)19(22)24(20(25)23-18)14-6-7-16-17(10-14)27-9-8-26-16/h2-7,10H,8-9,22H2,1H3
InChIKey LFJNVVQNKRJNKC-UHFFFAOYSA-N
Mol Weight 360.37 g/mol
Molecular Formula C20H16N4O3
Exact Mass 360.12224 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GWMThYF1s0d
Name 6-AMINO-5-CYANO-1-(2,3-DIHYDROBENZO-[B]-[1,4]-DIOXIN-6-YL)-4-(4-METHYLPHENYL)-2(1H)-PYRIMIDINONE
Compound Number 3J
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H16N4O3
InChI InChI=1S/C20H16N4O3/c1-12-2-4-13(5-3-12)18-15(11-21)19(22)24(20(25)23-18)14-6-7-16-17(10-14)27-9-8-26-16/h2-7,10H,8-9,22H2,1H3
InChIKey LFJNVVQNKRJNKC-UHFFFAOYSA-N
Literature Reference Author E.NAJAHI,J.SUDOR,F.CHABCHOUB,F.NEPVEU,F.ZRIBI,R.DUVAL
Literature Reference Citation MOLECULES,15,8841(2010)
Literature Reference DOI 10.3390/molecules1512884
Molecular Weight 360.372 g/mol
Sample ID 72729
Solvent DMSO-D6