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2,4-BIS(TRIFLUOROMETHYL)-3-PHENYLTHIO-1,1,1,5,5,5-HEXAFLUOROPENT-2-ENE
SpectraBase Compound ID FEwWAQEjulx
InChI InChI=1S/C13H6F12S/c14-10(15,16)8(11(17,18)19)7(26-6-4-2-1-3-5-6)9(12(20,21)22)13(23,24)25/h1-5,8H
InChIKey BXQVZOFDLDSHQG-UHFFFAOYSA-N
Mol Weight 422.23 g/mol
Molecular Formula C13H6F12S
Exact Mass 421.999859 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GSUL0jyNlir
Name 2,4-BIS(TRIFLUOROMETHYL)-3-PHENYLTHIO-1,1,1,5,5,5-HEXAFLUOROPENT-2-ENE
Comments SCALE INVERTED
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H6F12S
InChI InChI=1S/C13H6F12S/c14-10(15,16)8(11(17,18)19)7(26-6-4-2-1-3-5-6)9(12(20,21)22)13(23,24)25/h1-5,8H
InChIKey BXQVZOFDLDSHQG-UHFFFAOYSA-N
Instrument Name PE R-12A
Literature Reference N.S.MIRZABEKYANTS, M.D.BARGAMOVA, YU.A.CHEBURKOV, I.L.KNUNYANTS (1974)Izv.Akad.Nauk SSSR(Russ. Lang.): N11, 2545-2547.
NMR Standard -CF3COOH external
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported