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5-ENDO,8-EXO-DICHLORO-6-EXO,7-ENDO-DI-PARA-TOLYLTHIO-2,3-TETRAFLUOROBENZOBICYCLO[2.2.2]OCTENE
SpectraBase Compound ID 64GSOpWhBne
InChI InChI=1S/C26H20Cl2F4S2/c1-11-3-7-13(8-4-11)33-25-18-16-15(21(29)23(31)24(32)22(16)30)17(19(25)27)20(28)26(18)34-14-9-5-12(2)6-10-14/h3-10,17-20,25-26H,1-2H3
InChIKey TZSMXVJSMQLCDS-UHFFFAOYSA-N
Mol Weight 543.47 g/mol
Molecular Formula C26H20Cl2F4S2
Exact Mass 542.031961 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CTlAZFWCKGt
Name 5-ENDO,8-EXO-DICHLORO-6-EXO,7-ENDO-DI-PARA-TOLYLTHIO-2,3-TETRAFLUOROBENZOBICYCLO[2.2.2]OCTENE
Comments C=3-5%, CARCAS STRUCTURE;WP-200SY (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C26H20Cl2F4S2
InChI InChI=1S/C26H20Cl2F4S2/c1-11-3-7-13(8-4-11)33-25-18-16-15(21(29)23(31)24(32)22(16)30)17(19(25)27)20(28)26(18)34-14-9-5-12(2)6-10-14/h3-10,17-20,25-26H,1-2H3
InChIKey TZSMXVJSMQLCDS-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference I.V.BODRIKOV, L.V.CHUMAKOV, T.I.NOVIKOVA, G.A.NISNEVICH, V.I.MAMATYUK,YU.V.GATILOV, I.YU.BAGRYANSKAYA, V.A.BARKHASH (1986) Zhurn.Org.Khim.(Russ.Lang.): v.22, N2, 316-323.
NMR Standard C6F6
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CH3NO2 nitromethane