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1-[2-(2-METHYL-5-NITRO-IMIDAZOL-1-YL)-ETHYL]-2,4,6-TRIPHENYL-PYRIDINIUM-TETRAFLUOROBORATE
SpectraBase Compound ID G2aLt55yoEm
InChI InChI=1S/C29H25N4O2.BF4/c1-22-30-21-29(33(34)35)31(22)17-18-32-27(24-13-7-3-8-14-24)19-26(23-11-5-2-6-12-23)20-28(32)25-15-9-4-10-16-25;2-1(3,4)5/h2-16,19-21H,17-18H2,1H3;/q+1;-1
InChIKey FCMDOWYHWKZFNM-UHFFFAOYSA-N
Mol Weight 548.35 g/mol
Molecular Formula C29H25BF4N4O2
Exact Mass 548.200669 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KgqBfKZsSzr
Name 1-[2-(2-METHYL-5-NITRO-IMIDAZOL-1-YL)-ETHYL]-2,4,6-TRIPHENYL-PYRIDINIUM-TETRAFLUOROBORATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H25BF4N4O2
InChI InChI=1S/C29H25N4O2.BF4/c1-22-30-21-29(33(34)35)31(22)17-18-32-27(24-13-7-3-8-14-24)19-26(23-11-5-2-6-12-23)20-28(32)25-15-9-4-10-16-25;2-1(3,4)5/h2-16,19-21H,17-18H2,1H3;/q+1;-1
InChIKey FCMDOWYHWKZFNM-UHFFFAOYSA-N
Literature Reference Author E.ALCALDE,L.MANOS,N.VALLS,J.ELGUERO
Literature Reference Citation J.HETCYCL.CHEM.,21,1647(1984)
Literature Reference DOI 10.1002/jhet.5570210615
Molecular Weight 548.347 g/mol
Solvent DMSO-D6
Source File Reference UWED7728