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1,2,3,4,6,7,8,9-OCTAHYDROPERFLUOROTHIANTHRENE
SpectraBase Compound ID Cuo3HXcV0eZ
InChI InChI=1S/C12F16S2/c13-5(14)1-2(6(15,16)10(23,24)9(5,21)22)30-4-3(29-1)7(17,18)11(25,26)12(27,28)8(4,19)20
InChIKey WJRYGRDILVLVAX-UHFFFAOYSA-N
Mol Weight 512.23 g/mol
Molecular Formula C12F16S2
Exact Mass 511.918593 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Iwcr03dLddY
Name 1,2,3,4,6,7,8,9-OCTAHYDROPERFLUOROTHIANTHRENE
Comments SCALE INVERTED;R-32 (PERKIN-ELMER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12F16S2
InChI InChI=1S/C12F16S2/c13-5(14)1-2(6(15,16)10(23,24)9(5,21)22)30-4-3(29-1)7(17,18)11(25,26)12(27,28)8(4,19)20
InChIKey WJRYGRDILVLVAX-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference R.A.BEKKER, V.YA.POPKOVA, I.L.KNUNYANTS (1980) Izv.Akad.Nauk SSSR(Russ. Lang.):N9, 2175-2177.
NMR Standard -CF3COOH external
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CCl4 carbon tetrachl