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2-BENZYLTHIOPERFLUORO-3-ISOPROPYL-4-METHYL-2-PENTENE
SpectraBase Compound ID 9iD3vpN7maF
InChI InChI=1S/C16H7F17S/c17-10(13(22,23)24,14(25,26)27)8(11(18,15(28,29)30)16(31,32)33)9(12(19,20)21)34-6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey RBYLYWUJWWPOJO-UHFFFAOYSA-N
Mol Weight 554.26 g/mol
Molecular Formula C16H7F17S
Exact Mass 553.9997 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HdJp6TcmEfR
Name 2-BENZYLTHIOPERFLUORO-3-ISOPROPYL-4-METHYL-2-PENTENE
Comments CIS AND TRANS (CF3)2CF WERE ASSIGNED EXACTLY. SCALE INVERTED;R-32 (PERKIN-ELMER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H7F17S
InChI InChI=1S/C16H7F17S/c17-10(13(22,23)24,14(25,26)27)8(11(18,15(28,29)30)16(31,32)33)9(12(19,20)21)34-6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey RBYLYWUJWWPOJO-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference V.YA.POPKOVA, V.F.SNEGIREV, M.YU.ANTIPIN, YU.T.STRUCHKOV (1989) Izv.Akad.NaukSSSR(Russ. Lang.): N5, 1123-1129.
NMR Standard -CF3COOH external
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported