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4,4,5,5,5-Pentafluoro-1-(thiophen-2-yl)pentane-1,3-dione
SpectraBase Compound ID EvaW7ZQlArL
InChI InChI=1S/C9H5F5O2S/c10-8(11,9(12,13)14)7(16)4-5(15)6-2-1-3-17-6/h1-3H,4H2
InChIKey UOXHEBGXSSPVQE-UHFFFAOYSA-N
Mol Weight 272.19 g/mol
Molecular Formula C9H5F5O2S
Exact Mass 271.993041 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2g8Yo5cJJyG
Name 4,4,5,5,5-Pentafluoro-1-(thiophen-2-yl)pentane-1,3-dione
Appearance Colorless oil
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Formula C9H5F5O2S
InChI InChI=1S/C9H5F5O2S/c10-8(11,9(12,13)14)7(16)4-5(15)6-2-1-3-17-6/h1-3H,4H2
InChIKey UOXHEBGXSSPVQE-UHFFFAOYSA-N
Instrument Name Thermo DSQ II/Thermo Trace
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.14.290
Molecular Weight 272.189 g/mol
Reported Formula C9H5F5O2S
SMILES C(C(CC(=O)c1sccc1)=O)(C(F)(F)F)(F)F
SPLASH splash10-0uxr-3920000000-d3bfc715d064aa5f6745
Source of Spectrum BJO-14-SM6-3a
Wiley ID 1848348