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2,6-BIS-[[1-(1,3-DIOXOLAN-2-YL)-PYRIDINIUM]-METHYL]-TRIFLUOROMETHYLBENZENE-BIS-(TERTAFLUOROBORATE)

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2,6-BIS-[[1-(1,3-DIOXOLAN-2-YL)-PYRIDINIUM]-METHYL]-TRIFLUOROMETHYLBENZENE-BIS-(TERTAFLUOROBORATE)
SpectraBase Compound ID 2BiYYTn0IOF
InChI InChI=1S/C25H25F3N2O4.2BF4/c26-25(27,28)22-18(16-29-10-3-1-8-20(29)23-31-12-13-32-23)6-5-7-19(22)17-30-11-4-2-9-21(30)24-33-14-15-34-24;2*2-1(3,4)5/h1-11,23-24H,12-17H2;;/q+2;2*-1
InChIKey PXOWQCXZYMZRAK-UHFFFAOYSA-N
Mol Weight 648.1 g/mol
Molecular Formula C25H25B2F11N2O4
Exact Mass 648.182477 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7QtthYTueYi
Name 2,6-BIS-[[1-(1,3-DIOXOLAN-2-YL)-PYRIDINIUM]-METHYL]-TRIFLUOROMETHYLBENZENE-BIS-(TERTAFLUOROBORATE)
Compound Number 3E(2BF4)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H25B2F11N2O4
InChI InChI=1S/C25H25F3N2O4.2BF4/c26-25(27,28)22-18(16-29-10-3-1-8-20(29)23-31-12-13-32-23)6-5-7-19(22)17-30-11-4-2-9-21(30)24-33-14-15-34-24;2*2-1(3,4)5/h1-11,23-24H,12-17H2;;/q+2;2*-1
InChIKey PXOWQCXZYMZRAK-UHFFFAOYSA-N
Literature Reference Author A.GRANZHAN,H.IHMELS,K.MIKHLINA,H.J.DEISEROTH,H.MIKUS
Literature Reference Citation EUR.J.ORG.CHEM.,4098(2005)
Molecular Weight 648.087 g/mol
Sample ID 41299
Solvent DMSO-D6