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4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-1-(2-thienyl)undecane-1,3- dione
SpectraBase Compound ID A4iBwjZ2lXB
InChI InChI=1S/C15H5F17O2S/c16-8(17,7(34)4-5(33)6-2-1-3-35-6)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h1-3H,4H2
InChIKey VIHKRKUTOBQJEI-UHFFFAOYSA-N
Mol Weight 572.24 g/mol
Molecular Formula C15H5F17O2S
Exact Mass 571.973879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BnKWCQMelVO
Name 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-1-(2-thienyl)undecane-1,3- dione
Appearance White solid
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Formula C15H5F17O2S
InChI InChI=1S/C15H5F17O2S/c16-8(17,7(34)4-5(33)6-2-1-3-35-6)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h1-3H,4H2
InChIKey VIHKRKUTOBQJEI-UHFFFAOYSA-N
Instrument Name Thermo DSQ II/Thermo Trace
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.14.290
Molecular Weight 572.236 g/mol
Reported Formula C15H5F17O2S
SMILES C(C(CC(=O)c1sccc1)=O)(C(C(C(F)(F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
SPLASH splash10-0udi-2900000000-6b96e51d8cb3f28cea93
Source of Spectrum BJO-14-SM11-3g
Wiley ID 1848354