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2-ENDO-ACETOXY-8-ANTI-(PARA-NITROPHENYL)THIO-6,7-TETRAFLUOROBENZOBICYCLO[3.2.1]OCTA-3,6-DIENE
SpectraBase Compound ID I4q6wh1grtU
InChI InChI=1S/C20H13F4NO4S/c1-8(26)29-12-7-6-11-13-15(17(22)19(24)18(23)16(13)21)14(12)20(11)30-10-4-2-9(3-5-10)25(27)28/h2-7,11-12,14,20H,1H3/t11-,12-,14+,20-/m1/s1
InChIKey CGZJCIPEVBNELI-SGTNIVQDSA-N
Mol Weight 439.38 g/mol
Molecular Formula C20H13F4NO4S
Exact Mass 439.050142 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1uHkvCcvduk
Name 2-EXO-ACETOXY-8-ANTI-(PARA-NITROPHENYL)THIO-6,7-TETRAFLUOROBENZOBICYCLO[3.2.1]OCTA-3,6-DIENE
Comments CARCAS STRUCTURE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H13F4NO4S
InChI InChI=1S/C20H13F4NO4S/c1-8(26)29-12-7-6-11-13-15(17(22)19(24)18(23)16(13)21)14(12)20(11)30-10-4-2-9(3-5-10)25(27)28/h2-7,11-12,14,20H,1H3/t11-,12-,14+,20-/m1/s1
InChIKey CGZJCIPEVBNELI-SGTNIVQDSA-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