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2-MERCAPTOPERFLUORO-3-ISOPROPYL-4-METHYL-2-PENTENE
SpectraBase Compound ID 5Zyo0MXWm3c
InChI InChI=1S/C9HF17S/c10-3(6(15,16)17,7(18,19)20)1(2(27)5(12,13)14)4(11,8(21,22)23)9(24,25)26/h27H
InChIKey FRRYPIVDRXQQLM-UHFFFAOYSA-N
Mol Weight 464.14 g/mol
Molecular Formula C9HF17S
Exact Mass 463.95275 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LHDFYjtU52H
Name 2-MERCAPTOPERFLUORO-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 C9HF17S
InChI InChI=1S/C9HF17S/c10-3(6(15,16)17,7(18,19)20)1(2(27)5(12,13)14)4(11,8(21,22)23)9(24,25)26/h27H
InChIKey FRRYPIVDRXQQLM-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