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TERT-BUTYL PERFLUORO-3-ISOPROPYL-4-METHYLPENT-3-EN-2-YLSULPHIDE(ISOMER 1)
SpectraBase Compound ID GkSaXMvLp72
InChI InChI=1S/C13H9F17S/c1-6(2,3)31-8(15,13(28,29)30)4(5(9(16,17)18)10(19,20)21)7(14,11(22,23)24)12(25,26)27/h1-3H3
InChIKey ZYDOVEPETNLZCC-UHFFFAOYSA-N
Mol Weight 520.25 g/mol
Molecular Formula C13H9F17S
Exact Mass 520.01535 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CJ1TwY1ujjg
Name TERT-BUTYL PERFLUORO-3-ISOPROPYL-4-METHYLPENT-3-EN-2-YLSULPHIDE(ISOMER 2)
Comments SCALE INVERTED (DIRECT INDICATION IN THE PUBLICATION). C-C SINGLE BOND;WP-200SY (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H9F17S
InChI InChI=1S/C13H9F17S/c1-6(2,3)31-8(15,13(28,29)30)4(5(9(16,17)18)10(19,20)21)7(14,11(22,23)24)12(25,26)27/h1-3H3
InChIKey ZYDOVEPETNLZCC-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference K.N.MAKAROV, E.E.NIKOLAEVA, V.F.SNEGIREV (1990) J.Fluor.Chem.: v.48, N1, 133-142.
NMR Standard -CF3COOH
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported