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4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-1-(2-thienyl)nonane-1,3-dione
SpectraBase Compound ID 3GL2NVZSUVy
InChI InChI=1S/C13H5F13O2S/c14-8(15,7(28)4-5(27)6-2-1-3-29-6)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h1-3H,4H2
InChIKey XGJGEOQSZFVKEU-UHFFFAOYSA-N
Mol Weight 472.22 g/mol
Molecular Formula C13H5F13O2S
Exact Mass 471.980267 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ck72OiKdBe1
Name 4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-1-(2-thienyl)nonane-1,3-dione
Appearance White solid
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Formula C13H5F13O2S
InChI InChI=1S/C13H5F13O2S/c14-8(15,7(28)4-5(27)6-2-1-3-29-6)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h1-3H,4H2
InChIKey XGJGEOQSZFVKEU-UHFFFAOYSA-N
Instrument Name Thermo DSQ II/Thermo Trace
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.14.290
Molecular Weight 472.220 g/mol
Reported Formula C13H5F13O2S
SMILES C(C(CC(=O)c1sccc1)=O)(C(C(C(F)(F)C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
SPLASH splash10-0udi-0900000000-47e5cb48d7b683b18747
Source of Spectrum BJO-14-SM10-3e
Wiley ID 1848352