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5-(4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl)-1-(4-iodophenyl)-6-oxidanyl-pyrimidine-2,4-dione
SpectraBase Compound ID 8YKl91WZ47H
InChI InChI=1S/C20H15IN2O7/c1-28-12-8-7-11-13(16(12)29-2)19(26)30-15(11)14-17(24)22-20(27)23(18(14)25)10-5-3-9(21)4-6-10/h3-8,15,25H,1-2H3,(H,22,24,27)
InChIKey PKTJGGURKIYKQK-UHFFFAOYSA-N
Mol Weight 522.25 g/mol
Molecular Formula C20H15IN2O7
Exact Mass 521.992396 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6WKTBMRB5ec
Name 5-(4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl)-1-(4-iodophenyl)-6-oxidanyl-pyrimidine-2,4-dione
Alternate Name(s) 5-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-6-hydroxy-1-(4-iodophenyl)pyrimidine-2,4-dione 5-(4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl)-6-hydroxy-1-(4-iodophenyl)pyrimidine-2,4-dione 6-Hydroxy-1-(4-iodophenyl)-5-(3-keto-4,5-dimethoxy-phthalan-1-yl)pyrimidine-2,4-quinone
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Formula C20H15IN2O7
InChI InChI=1S/C20H15IN2O7/c1-28-12-8-7-11-13(16(12)29-2)19(26)30-15(11)14-17(24)22-20(27)23(18(14)25)10-5-3-9(21)4-6-10/h3-8,15,25H,1-2H3,(H,22,24,27)
InChIKey PKTJGGURKIYKQK-UHFFFAOYSA-N
Molecular Weight 522.251 g/mol
SMILES N1C(C(=C(N(c2ccc(cc2)I)C1=O)O)C1c2c(c(OC)c(cc2)OC)C(O1)=O)=O
SPLASH splash10-006x-2900020000-b732c7b33de6a65fef11
Wiley ID 1457779