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5-EXO-METHOXY-5-(PARA-TRIFLUOROMETHYLPHENYL)-2,3-TETRAFLUOROBENZOBICYCLO[2.2.2]OCTA-2,7-DIENE
SpectraBase Compound ID H3tLRroGaxz
InChI InChI=1S/C20H13F7O/c1-28-19(10-3-5-11(6-4-10)20(25,26)27)8-9-2-7-12(19)14-13(9)15(21)17(23)18(24)16(14)22/h2-7,9,12H,8H2,1H3/t9-,12-,19-/m0/s1
InChIKey BJZZUVPRIMPZNL-DDIXBURBSA-N
Mol Weight 402.31 g/mol
Molecular Formula C20H13F7O
Exact Mass 402.085462 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L9dSKcj7tR
Name 5-EXO-METHOXY-5-(PARA-TRIFLUOROMETHYLPHENYL)-2,3-TETRAFLUOROBENZOBICYCLO[2.2.2]OCTA-2,7-DIENE
Comments CARCAS STRUCTURE, C=10%
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H13F7O
InChI InChI=1S/C20H13F7O/c1-28-19(10-3-5-11(6-4-10)20(25,26)27)8-9-2-7-12(19)14-13(9)15(21)17(23)18(24)16(14)22/h2-7,9,12H,8H2,1H3/t9-,12-,19-/m0/s1
InChIKey BJZZUVPRIMPZNL-DDIXBURBSA-N
Instrument Name Varian A56/60A
Literature Reference G.T.KAMSHY, G.A.NISNEVICH, V.I.MAMATYUK, V.A.BARKHASH (1982)Zhurn.Org.Khim.(Russ. Lang.): v.18, N7, 1432-1451.
NMR Standard C6F6
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CCl4 carbon tetrachl