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4,4,5,5,6,6,7,7,8,8,8-Undecafluoro-1-(2-thienyl)octane-1,3-dione
SpectraBase Compound ID LHEabjVsLXj
InChI InChI=1S/C12H5F11O2S/c13-8(14,7(25)4-5(24)6-2-1-3-26-6)9(15,16)10(17,18)11(19,20)12(21,22)23/h1-3H,4H2
InChIKey IJNNXFRLOAJQOH-UHFFFAOYSA-N
Mol Weight 422.21 g/mol
Molecular Formula C12H5F11O2S
Exact Mass 421.98346 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5bhzQLhEoQf
Name 4,4,5,5,6,6,7,7,8,8,8-Undecafluoro-1-(2-thienyl)octane-1,3-dione
Appearance Light-yellow oil
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Formula C12H5F11O2S
InChI InChI=1S/C12H5F11O2S/c13-8(14,7(25)4-5(24)6-2-1-3-26-6)9(15,16)10(17,18)11(19,20)12(21,22)23/h1-3H,4H2
InChIKey IJNNXFRLOAJQOH-UHFFFAOYSA-N
Instrument Name Thermo DSQ II/Thermo Trace
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.14.290
Molecular Weight 422.212 g/mol
Reported Formula C12H5F11O2S
SMILES C(C(CC(=O)c1sccc1)=O)(C(C(C(F)(F)C(F)(F)F)(F)F)(F)F)(F)F
SPLASH splash10-0udi-2900100000-358f245e38669974fd99
Source of Spectrum BJO-14-SM9-3d
Wiley ID 1848351