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1,3,7,9-tetrabutyl-2,4,6,8-tetraoxo-1,2,3,4,6,7,8,9-octahydropyrimido[5,4-g]pteridine-5-oxide
SpectraBase Compound ID DRkJI7g8ywZ
InChI InChI=1S/C24H36N6O5/c1-5-9-13-26-19-17(21(31)28(23(26)33)15-11-7-3)30(35)18-20(25-19)27(14-10-6-2)24(34)29(22(18)32)16-12-8-4/h5-16H2,1-4H3
InChIKey MTWAUWYOWWKLNY-UHFFFAOYSA-N
Mol Weight 488.6 g/mol
Molecular Formula C24H36N6O5
Exact Mass 488.274718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9t5kbUBEXRD
Name 1,3,7,9-tetrabutyl-2,4,6,8-tetraoxo-1,2,3,4,6,7,8,9-octahydropyrimido[5,4-g]pteridine-5-oxide
Appearance Fine yellow needles
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Formula C24H36N6O5
InChI InChI=1S/C24H36N6O5/c1-5-9-13-26-19-17(21(31)28(23(26)33)15-11-7-3)30(35)18-20(25-19)27(14-10-6-2)24(34)29(22(18)32)16-12-8-4/h5-16H2,1-4H3
InChIKey MTWAUWYOWWKLNY-UHFFFAOYSA-N
Instrument Name Finigan MAT95XP EI GC/MS
Ionization Type EI
Literature Reference DOI 10.1002/chem.201900118
Molecular Weight 488.589 g/mol
Reported Formula C24H36N6O5
SMILES C1(=O)N(C(N(c2c1[n+](c1c(n2)N(C(N(C1=O)CCCC)=O)CCCC)[O-])CCCC)=O)CCCC
SPLASH splash10-00di-0000900000-0b6b12b72454730850ed
Source of Spectrum QE-25-SM21-3
Thin-Layer Chromatography Rf = 0.43 (n-hexane/EtOAc, 1:1)
Wiley ID 1848503