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N-(3,5-BISTRIFLUOROMETHYLBENZYL)-2-(2-FLUOROPHENYL)-PYRIDIUM-BROMIDE

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N-(3,5-BISTRIFLUOROMETHYLBENZYL)-2-(2-FLUOROPHENYL)-PYRIDIUM-BROMIDE
SpectraBase Compound ID 1LannxBTHK7
InChI InChI=1S/C20H13F7N.BrH/c21-17-6-2-1-5-16(17)18-7-3-4-8-28(18)12-13-9-14(19(22,23)24)11-15(10-13)20(25,26)27;/h1-11H,12H2;1H/q+1;/p-1
InChIKey CETOIBYENFODHQ-UHFFFAOYSA-M
Mol Weight 480.22 g/mol
Molecular Formula C20H13BrF7N
Exact Mass 479.01196 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3G2Rza8j28k
Name N-(3,5-BISTRIFLUOROMETHYLBENZYL)-2-(2-FLUOROPHENYL)-PYRIDIUM-BROMIDE
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H13BrF7N
InChI InChI=1S/C20H13F7N.BrH/c21-17-6-2-1-5-16(17)18-7-3-4-8-28(18)12-13-9-14(19(22,23)24)11-15(10-13)20(25,26)27;/h1-11H,12H2;1H/q+1;/p-1
InChIKey CETOIBYENFODHQ-UHFFFAOYSA-M
Literature Reference Author M.J.RASHKIN,M.L.WATERS
Literature Reference Citation J.AM.CHEM.SOC.,124,1860(2002)
Literature Reference DOI 10.1021/ja016508z
Solvent D2O
Source File Reference UWLU47665