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Benzoic acid, 4-[4-(2-fluorophenyl)-4,6-dihydro-6-oxo-3-phenylpyrrolo[3,4-c]pyrazol-5(1H)-yl]-, ethyl ester
SpectraBase Compound ID 7l1eFg0xK8b
InChI InChI=1S/C26H20FN3O3/c1-2-33-26(32)17-12-14-18(15-13-17)30-24(19-10-6-7-11-20(19)27)21-22(16-8-4-3-5-9-16)28-29-23(21)25(30)31/h3-15,24H,2H2,1H3,(H,28,29)
InChIKey IVUFUJMCXXTDNG-UHFFFAOYSA-N
Mol Weight 441.46 g/mol
Molecular Formula C26H20FN3O3
Exact Mass 441.14887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6VzFJdzd7h6
Name Benzoic acid, 4-[4-(2-fluorophenyl)-4,6-dihydro-6-oxo-3-phenylpyrrolo[3,4-c]pyrazol-5(1H)-yl]-, ethyl ester
Alternate Name(s) 4-[4-(2-fluorophenyl)-6-oxo-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoic acid ethyl ester Ethyl 4-[4-(2-fluorophenyl)-6-oxo-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate Ethyl 4-[4-(2-fluorophenyl)-6-oxidanylidene-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate
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Formula C26H20FN3O3
InChI InChI=1S/C26H20FN3O3/c1-2-33-26(32)17-12-14-18(15-13-17)30-24(19-10-6-7-11-20(19)27)21-22(16-8-4-3-5-9-16)28-29-23(21)25(30)31/h3-15,24H,2H2,1H3,(H,28,29)
InChIKey IVUFUJMCXXTDNG-UHFFFAOYSA-N
Molecular Weight 441.462 g/mol
SMILES [nH]1nc(c2c1C(N(C2c1c(F)cccc1)c1ccc(C(=O)OCC)cc1)=O)-c1ccccc1
SPLASH splash10-0006-8944400000-a7e0fe74272d6d6051c7
Source of Spectrum IY-1-4576-1
Wiley ID 1653744