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5-ENDO-ACETOXY-6-EXO-PARA-CHLOROPHENYLTHIO-2,3-TETRAFLUOROBENZOBICYCLO[2.2.2]OCTA-2,7-DIENE
SpectraBase Compound ID 77rFtjFlr3w
InChI InChI=1S/C20H13ClF4O2S/c1-8(26)27-19-11-6-7-12(20(19)28-10-4-2-9(21)3-5-10)14-13(11)15(22)17(24)18(25)16(14)23/h2-7,11-12,19-20H,1H3/t11-,12+,19+,20+/m0/s1
InChIKey RKYRIASPSYPGTA-OCBHBYCGSA-N
Mol Weight 428.83 g/mol
Molecular Formula C20H13ClF4O2S
Exact Mass 428.026091 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID p933V7zC9x
Name 5-ENDO-ACETOXY-6-EXO-PARA-CHLOROPHENYLTHIO-2,3-TETRAFLUOROBENZOBICYCLO[2.2.2]OCTA-2,7-DIENE
Comments CARCAS STRUCTURE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H13ClF4O2S
InChI InChI=1S/C20H13ClF4O2S/c1-8(26)27-19-11-6-7-12(20(19)28-10-4-2-9(21)3-5-10)14-13(11)15(22)17(24)18(25)16(14)23/h2-7,11-12,19-20H,1H3/t11-,12+,19+,20+/m0/s1
InChIKey RKYRIASPSYPGTA-OCBHBYCGSA-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