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4-[(4E)-4-[[5-(2-fluorophenyl)-2-furanyl]methylidene]-3,5-dioxo-1-pyrazolidinyl]benzoic acid ethyl ester
SpectraBase Compound ID BrIjsPMGoPA
InChI InChI=1S/C23H17FN2O5/c1-2-30-23(29)14-7-9-15(10-8-14)26-22(28)18(21(27)25-26)13-16-11-12-20(31-16)17-5-3-4-6-19(17)24/h3-13H,2H2,1H3,(H,25,27)/b18-13+
InChIKey HDQIAXQBBFYLRE-QGOAFFKASA-N
Mol Weight 420.4 g/mol
Molecular Formula C23H17FN2O5
Exact Mass 420.11215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9S3IFvSZCQb
Name 4-[(4E)-4-[[5-(2-fluorophenyl)-2-furanyl]methylidene]-3,5-dioxo-1-pyrazolidinyl]benzoic acid ethyl ester
Alternate Name(s) 4-[(4E)-4-[[5-(2-fluorophenyl)-2-furyl]methylene]-3,5-diketo-pyrazolidin-1-yl]benzoic acid ethyl ester Ethyl 4-[(4E)-4-[[5-(2-fluorophenyl)-2-furyl]methylene]-3,5-dioxo-pyrazolidin-1-yl]benzoate Ethyl 4-[(4E)-4-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-3,5-bis(oxidanylidene)pyrazolidin-1-yl]benzoate Ethyl 4-[(4E)-4-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate
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Formula C23H17FN2O5
InChI InChI=1S/C23H17FN2O5/c1-2-30-23(29)14-7-9-15(10-8-14)26-22(28)18(21(27)25-26)13-16-11-12-20(31-16)17-5-3-4-6-19(17)24/h3-13H,2H2,1H3,(H,25,27)/b18-13+
InChIKey HDQIAXQBBFYLRE-QGOAFFKASA-N
Molecular Weight 420.396 g/mol
SMILES N1N(C(\C(C1=O)=C/c1oc(-c2c(F)cccc2)cc1)=O)c1ccc(C(=O)OCC)cc1
SPLASH splash10-00di-4930400000-2b90704414713d9f67c0
Wiley ID 1436970