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1-PERFLUOROHEXYL-2-CHLOROETHYLTHIOL
SpectraBase Compound ID 324v7gUfC1N
InChI InChI=1S/C8H4ClF13S/c9-1-2(23)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)22/h2,23H,1H2
InChIKey VPWWJIFATAGPNR-UHFFFAOYSA-N
Mol Weight 414.61 g/mol
Molecular Formula C8H4ClF13S
Exact Mass 413.951465 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9mcS8LhzljA
Name 1-PERFLUOROHEXYL-2-CHLOROETHYLTHIOL
Comments SCALE INVERTED., CF2 ASSIGNED (A.Y.);WP-200SY (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H4ClF13S
InChI InChI=1S/C8H4ClF13S/c9-1-2(23)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)22/h2,23H,1H2
InChIKey VPWWJIFATAGPNR-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference V.YA.POPKOVA, L.S.GERMAN, S.SZONYI, A.CAMBON (1990) J.Fluor.Chem.: v.49, N2,159-165.
NMR Standard -CF3COOH
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CCl4 carbon tetrachl