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(4E)-1-(4-fluorophenyl)-4-(4-hydroxy-3-iodo-5-methoxy-benzylidene)pyrazolidine-3,5-quinone
SpectraBase Compound ID 8raJl7MGTCO
InChI InChI=1S/C17H12FIN2O4/c1-25-14-8-9(7-13(19)15(14)22)6-12-16(23)20-21(17(12)24)11-4-2-10(18)3-5-11/h2-8,22H,1H3,(H,20,23)/b12-6+
InChIKey HXAJHFMLVBILNT-WUXMJOGZSA-N
Mol Weight 454.2 g/mol
Molecular Formula C17H12FIN2O4
Exact Mass 453.98258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8XTURXyiTpN
Name (4E)-1-(4-fluorophenyl)-4-(4-hydroxy-3-iodo-5-methoxy-benzylidene)pyrazolidine-3,5-quinone
Alternate Name(s) (4E)-1-(4-fluorophenyl)-4-[(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)methylidene]pyrazolidine-3,5-dione (4E)-1-(4-fluorophenyl)-4-[(4-hydroxy-3-iodo-5-methoxy-phenyl)methylene]pyrazolidine-3,5-dione (4E)-1-(4-fluorophenyl)-4-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]pyrazolidine-3,5-dione 1-(4-Fluorophenyl)-4-(4-hydroxy-3-iodo-5-methoxybenzylidene)-3,5-pyrazolidinedione
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Formula C17H12FIN2O4
InChI InChI=1S/C17H12FIN2O4/c1-25-14-8-9(7-13(19)15(14)22)6-12-16(23)20-21(17(12)24)11-4-2-10(18)3-5-11/h2-8,22H,1H3,(H,20,23)/b12-6+
InChIKey HXAJHFMLVBILNT-WUXMJOGZSA-N
Molecular Weight 454.196 g/mol
SMILES N1N(C(\C(=C\c2cc(c(c(c2)I)O)OC)C1=O)=O)c1ccc(cc1)F
SPLASH splash10-0udi-1214900000-f0535d0fe343cfd5f7a4
Wiley ID 1463397