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2-TRIFLUOROMETHYL-3-BENZOYLTHIOPERFLUORO-2-PENTENE
SpectraBase Compound ID Brjx64Jr3G1
InChI InChI=1S/C13H5F11OS/c14-10(15,13(22,23)24)8(7(11(16,17)18)12(19,20)21)26-9(25)6-4-2-1-3-5-6/h1-5H
InChIKey CQLOIORXUNIERD-UHFFFAOYSA-N
Mol Weight 418.22 g/mol
Molecular Formula C13H5F11OS
Exact Mass 417.988546 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IfxkwoVLDD5
Name 2-TRIFLUOROMETHYL-3-BENZOYLTHIOPERFLUORO-2-PENTENE
Comments CIS AND TRANS CF3 ARE ASSIGNED EXACTLY. SCALE INVERTED;R-32 (PERKIN-ELMER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H5F11OS
InChI InChI=1S/C13H5F11OS/c14-10(15,13(22,23)24)8(7(11(16,17)18)12(19,20)21)26-9(25)6-4-2-1-3-5-6/h1-5H
InChIKey CQLOIORXUNIERD-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference R.A.BEKKER, V.YA.POPKOVA, I.L.KNUNYANTS (1982) Izv.Akad.Nauk SSSR(Russ. Lang.):N10, 2347-2354.
NMR Standard -CF3COOH external
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported