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1,3-Hexanedione, 4,4,5,5,6,6,6-heptafluoro-1-(2-thienyl)-
SpectraBase Compound ID 4EV1RDJtcmx
InChI InChI=1S/C10H5F7O2S/c11-8(12,9(13,14)10(15,16)17)7(19)4-5(18)6-2-1-3-20-6/h1-3H,4H2
InChIKey QHOQGOZSTQAYRH-UHFFFAOYSA-N
Mol Weight 322.2 g/mol
Molecular Formula C10H5F7O2S
Exact Mass 321.989848 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8V7EAygUrca
Name 4,4,5,5,6,6,6-Heptafluoro-1-(2-thienyl)hexane-1,3-dione
Appearance Yellow oil
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Formula C10H5F7O2S
InChI InChI=1S/C10H5F7O2S/c11-8(12,9(13,14)10(15,16)17)7(19)4-5(18)6-2-1-3-20-6/h1-3H,4H2
InChIKey QHOQGOZSTQAYRH-UHFFFAOYSA-N
Instrument Name Thermo DSQ II/Thermo Trace
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.14.290
Molecular Weight 322.197 g/mol
Reported Formula C10H5F7O2S
SMILES C(C(CC(=O)c1sccc1)=O)(C(C(F)(F)F)(F)F)(F)F
SPLASH splash10-0uxr-3901000000-4931f1bfb84ce0fb9f1e
Source of Spectrum BJO-14-SM7-3b
Wiley ID 1848349