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1,3,7,9-tetraphenyl-2,4,6,8-tetraoxo-1,2,3,4,6,7,8,9-octahydropyrimido[5,4-g]pteridine-5-oxide
SpectraBase Compound ID CSwe7wL1kud
InChI InChI=1S/C32H20N6O5/c39-29-25-27(34(21-13-5-1-6-14-21)31(41)36(29)23-17-9-3-10-18-23)33-28-26(38(25)43)30(40)37(24-19-11-4-12-20-24)32(42)35(28)22-15-7-2-8-16-22/h1-20H
InChIKey NGQMVNMVHFGOOV-UHFFFAOYSA-N
Mol Weight 568.5 g/mol
Molecular Formula C32H20N6O5
Exact Mass 568.149518 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HDmsj52tuWW
Name 1,3,7,9-tetraphenyl-2,4,6,8-tetraoxo-1,2,3,4,6,7,8,9-octahydropyrimido[5,4-g]pteridine-5-oxide
Appearance Pale yellow solid
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Formula C32H20N6O5
InChI InChI=1S/C32H20N6O5/c39-29-25-27(34(21-13-5-1-6-14-21)31(41)36(29)23-17-9-3-10-18-23)33-28-26(38(25)43)30(40)37(24-19-11-4-12-20-24)32(42)35(28)22-15-7-2-8-16-22/h1-20H
InChIKey NGQMVNMVHFGOOV-UHFFFAOYSA-N
Instrument Name Finigan MAT95XP EI GC/MS
Ionization Type EI
Literature Reference DOI 10.1002/chem.201900118
Molecular Weight 568.549 g/mol
Reported Formula C32H20N6O5
SMILES C1(=O)N(C(N(c2c1[n+](c1c(n2)N(C(N(C1=O)c1ccccc1)=O)c1ccccc1)[O-])c1ccccc1)=O)c1ccccc1
SPLASH splash10-0gc6-9740660000-c4479a91a78cfdbe6728
Source of Spectrum QE-25-SM33-4
Thin-Layer Chromatography Rf = 0.29 (n-hexane/EtOAc/MeOH, 1:1:0.2)
Wiley ID 1848508