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ENDO-2,ANTI-7-DICHLORO,EXO-3,SYN-8-DI(PARA-METHYLPHENYLTHIO)-5,6-TETRAFLUOROBICYCLO[2.2.2]OCTENE
SpectraBase Compound ID L6801Tk9tg5
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/t17-,18+,19-,20-,25-,26-/m0/s1
InChIKey TZSMXVJSMQLCDS-DLQNDTKVSA-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 FU5Jl566s59
Name ENDO-2,ANTI-7-DICHLORO,EXO-3,SYN-8-DI(PARA-METHYLPHENYLTHIO)-5,6-TETRAFLUOROBICYCLO[2.2.2]OCTENE
Comments CARCAS STRUCTURE
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/t17-,18+,19-,20-,25-,26-/m0/s1
InChIKey TZSMXVJSMQLCDS-DLQNDTKVSA-N
Instrument Name Varian A56/60A
Literature Reference G.A.NISNEVICH, V.I.MAMATYUK, V.A.BARKHASH, T.N.VELIKOKHAT'KO, N.K.SADOVAYA,N.S.ZEFIROV, O.I.LYUBINSKAYA, G.S.MIKAELYAN, V.A.SMIT, E.YU.GRUDZINSKAYA,E.V.SKOROBOGATOVA, V.R.KARTASHOV, T.I.NOVIKOVA, I.V.
NMR Standard C6F6
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CCl4 carbon tetrachl