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1-Benzoyl-4-(4'-chlorooctafluorobutyl)methyl)-3(E)-(1'-iodoethylidene)-2(3H)-dihydropyrrolidone
SpectraBase Compound ID Kb0hhQjjqvd
InChI InChI=1S/C18H13ClF8INO2/c1-9(28)12-11(7-15(20,21)16(22,23)17(24,25)18(19,26)27)8-29(14(12)31)13(30)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3/b12-9+
InChIKey XSRMAVKNUAFXNY-FMIVXFBMSA-N
Mol Weight 589.65 g/mol
Molecular Formula C18H13ClF8INO2
Exact Mass 588.955177 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4a2QZKjruoN
Name 1-Benzoyl-4-(4'-chlorooctafluorobutyl)methyl)-3(E)-(1'-iodoethylidene)-2(3H)-dihydropyrrolidone
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Formula C18H13ClF8INO2
InChI InChI=1S/C18H13ClF8INO2/c1-9(28)12-11(7-15(20,21)16(22,23)17(24,25)18(19,26)27)8-29(14(12)31)13(30)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3/b12-9+
InChIKey XSRMAVKNUAFXNY-FMIVXFBMSA-N
Molecular Weight 589.652 g/mol
SMILES C1(N(CC(\C1=C/(I)C)CC(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F)C(=O)c1ccccc1)=O
SPLASH splash10-0a4i-2900200000-7a11ba9f491bb74f19ff
Source of Spectrum F-51-2656-17
Wiley ID 791165