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BARIUM-BIS-[2,4,6-TRIS-(TRIFLUOROMETHYL)-PHENOXIDE]
SpectraBase Compound ID JV7ZXQT0NEg
InChI InChI=1S/2C9H3F9O.C4H8O.Ba/c2*10-7(11,12)3-1-4(8(13,14)15)6(19)5(2-3)9(16,17)18;1-2-4-5-3-1;/h2*1-2,19H;1-4H2;/q;;;+2/p-2
InChIKey YKYVCHASYYCNKF-UHFFFAOYSA-L
Mol Weight 803.63 g/mol
Molecular Formula C22H12BaF18O3
Exact Mass 803.955148 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3BvE9q6eNVM
Name BARIUM-BIS-[2,4,6-TRIS-(TRIFLUOROMETHYL)-PHENOXIDE]
CAS Registry Number 128780-90-5
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H12BaF18O3
InChI InChI=1S/2C9H3F9O.C4H8O.Ba/c2*10-7(11,12)3-1-4(8(13,14)15)6(19)5(2-3)9(16,17)18;1-2-4-5-3-1;/h2*1-2,19H;1-4H2;/q;;;+2/p-2
InChIKey YKYVCHASYYCNKF-UHFFFAOYSA-L
Literature Reference Author H.W.ROESKY,M.SCHOLZ,M.NOLTEMEYER
Literature Reference Citation CHEM.BER.,123,2303(1990)
Literature Reference DOI 10.1002/cber.19901231211
Solvent CD3CN
Source File Reference UWCS17370