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5-EXO-BROMO-6-ENDO-METHYLTHIO-2,3-TETRAFLUOROBENZOBICYCLO[2.2.2]OCTENE
SpectraBase Compound ID Bc0xRqShEyT
InChI InChI=1S/C13H11BrF4S/c1-19-13-5-3-2-4(8(13)14)6-7(5)10(16)12(18)11(17)9(6)15/h4-5,8,13H,2-3H2,1H3/t4-,5+,8-,13-/m1/s1
InChIKey DIFFELFIWUPQKC-SREYCENMSA-N
Mol Weight 355.19 g/mol
Molecular Formula C13H11BrF4S
Exact Mass 353.970097 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BoxqBXu91wm
Name 5-EXO-BROMO-6-ENDO-METHYLTHIO-2,3-TETRAFLUOROBENZOBICYCLO[2.2.2]OCTENE
Comments CARCAS STRUCTURE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H11BrF4S
InChI InChI=1S/C13H11BrF4S/c1-19-13-5-3-2-4(8(13)14)6-7(5)10(16)12(18)11(17)9(6)15/h4-5,8,13H,2-3H2,1H3/t4-,5+,8-,13-/m1/s1
InChIKey DIFFELFIWUPQKC-SREYCENMSA-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/C3D6O