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

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N-(3,5-DINITROBENZYL)-2-(2-FLUOROPHENYL)-PYRIDIUM-BROMIDE
SpectraBase Compound ID KBO4MW3q9qM
InChI InChI=1S/C18H13FN3O4.BrH/c19-17-6-2-1-5-16(17)18-7-3-4-8-20(18)12-13-9-14(21(23)24)11-15(10-13)22(25)26;/h1-11H,12H2;1H/q+1;/p-1
InChIKey XRVSCMCEHJECKJ-UHFFFAOYSA-M
Mol Weight 434.22 g/mol
Molecular Formula C18H13BrFN3O4
Exact Mass 433.007347 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Iscpk0Ccf5N
Name N-(3,5-DINITROBENZYL)-2-(2-FLUOROPHENYL)-PYRIDIUM-BROMIDE
Compound Number 4C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H13BrFN3O4
InChI InChI=1S/C18H13FN3O4.BrH/c19-17-6-2-1-5-16(17)18-7-3-4-8-20(18)12-13-9-14(21(23)24)11-15(10-13)22(25)26;/h1-11H,12H2;1H/q+1;/p-1
InChIKey XRVSCMCEHJECKJ-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 UWLU47666