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5-ENDO-BROMO-6-EXO-(ORTHO,PARA-DINITROPHENYL)THIO-2,3-TETRAFLUOROBENZOBICYCLO[2.2.2]OCTA-2,7-DIENE
SpectraBase Compound ID FSyrTE4Uaim
InChI InChI=1S/C18H9BrF4N2O4S/c19-13-7-2-3-8(12-11(7)14(20)16(22)17(23)15(12)21)18(13)30-10-4-1-6(24(26)27)5-9(10)25(28)29/h1-5,7-8,13,18H/t7-,8+,13+,18+/m1/s1
InChIKey FIIGDHQFFXNBIH-HPPSUJQXSA-N
Mol Weight 505.24 g/mol
Molecular Formula C18H9BrF4N2O4S
Exact Mass 503.940254 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KNithvDYLhK
Name 5-ENDO-BROMO-6-EXO-(ORTHO,PARA-DINITROPHENYL)THIO-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 C18H9BrF4N2O4S
InChI InChI=1S/C18H9BrF4N2O4S/c19-13-7-2-3-8(12-11(7)14(20)16(22)17(23)15(12)21)18(13)30-10-4-1-6(24(26)27)5-9(10)25(28)29/h1-5,7-8,13,18H/t7-,8+,13+,18+/m1/s1
InChIKey FIIGDHQFFXNBIH-HPPSUJQXSA-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