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7-(4-Fluoro-phenyl)-1,3-dimethyl-5,5-bis-trifluoromethyl-5,8-dihydro-1H-pyrimido[4,5-d]pyrimidine-2,4-dione
SpectraBase Compound ID GQ0LcPEM5QF
InChI InChI=1S/C16H11F7N4O2/c1-26-11-9(12(28)27(2)13(26)29)14(15(18,19)20,16(21,22)23)25-10(24-11)7-3-5-8(17)6-4-7/h3-6H,1-2H3,(H,24,25)
InChIKey DEKKASJUKSWHAB-UHFFFAOYSA-N
Mol Weight 424.28 g/mol
Molecular Formula C16H11F7N4O2
Exact Mass 424.077023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4IFPI8FsuG
Name 7-(4-Fluoro-phenyl)-1,3-dimethyl-5,5-bis-trifluoromethyl-5,8-dihydro-1H-pyrimido[4,5-d]pyrimidine-2,4-dione
Alternate Name(s) 7-(4-Fluorophenyl)-1,3-dimethyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione 7-(4-fluorophenyl)-1,3-dimethyl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione 7-(4-fluorophenyl)-1,3-dimethyl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-quinone
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Formula C16H11F7N4O2
InChI InChI=1S/C16H11F7N4O2/c1-26-11-9(12(28)27(2)13(26)29)14(15(18,19)20,16(21,22)23)25-10(24-11)7-3-5-8(17)6-4-7/h3-6H,1-2H3,(H,24,25)
InChIKey DEKKASJUKSWHAB-UHFFFAOYSA-N
Molecular Weight 424.279 g/mol
SMILES N1C2=C(C(N=C1c1ccc(cc1)F)(C(F)(F)F)C(F)(F)F)C(N(C(N2C)=O)C)=O
SPLASH splash10-0a59-7906000000-8bbf44402db19241b748
Wiley ID 1461935