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PARA-PERFLUOROOCTYLTHIOTOLUENE
SpectraBase Compound ID AxfHxlv6hRy
InChI InChI=1S/C15H7F17S/c1-6-2-4-7(5-3-6)33-15(31,32)13(26,27)11(22,23)9(18,19)8(16,17)10(20,21)12(24,25)14(28,29)30/h2-5H,1H3
InChIKey RCKMRNOIMBUQCO-UHFFFAOYSA-N
Mol Weight 542.25 g/mol
Molecular Formula C15H7F17S
Exact Mass 541.9997 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LBhZZ3fbqCh
Name PARA-PERFLUOROOCTYLTHIOTOLUENE
Comments RANGE FOR OTHER CF2 121.4-125.8PPM. SCALE INVERTED;WP-200 (BRUKER)
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Formula C15H7F17S
InChI InChI=1S/C15H7F17S/c1-6-2-4-7(5-3-6)33-15(31,32)13(26,27)11(22,23)9(18,19)8(16,17)10(20,21)12(24,25)14(28,29)30/h2-5H,1H3
InChIKey RCKMRNOIMBUQCO-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference N.V.IGNAT'EV, S.D.DATSENKO, L.M.YAGUPOL'SKY (1991) Zhurn.Org.Khim.(Russ.Lang.): v.27, N5, 905-910.
NMR Standard CCl3F
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3D6O acetone-d6