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4-(4-CHLOROPHENYL)-1-[4-(4-FLUOROPHENYL)-4-OXOBUTYL]-PYRIDINIUM;HPP(+)CL(-)
SpectraBase Compound ID 8kfmjf9sKR6
InChI InChI=1S/C21H18ClFNO.ClH/c22-19-7-3-16(4-8-19)17-11-14-24(15-12-17)13-1-2-21(25)18-5-9-20(23)10-6-18;/h3-12,14-15H,1-2,13H2;1H/q+1;/p-1
InChIKey MRTIGXLIXIMHNN-UHFFFAOYSA-M
Mol Weight 390.29 g/mol
Molecular Formula C21H18Cl2FNO
Exact Mass 389.074948 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BZ6bFS2dn48
Name 4-(4-CHLOROPHENYL)-1-[4-(4-FLUOROPHENYL)-4-OXOBUTYL]-PYRIDINIUM;HPP(+)CL(-)
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18Cl2FNO
InChI InChI=1S/C21H18ClFNO.ClH/c22-19-7-3-16(4-8-19)17-11-14-24(15-12-17)13-1-2-21(25)18-5-9-20(23)10-6-18;/h3-12,14-15H,1-2,13H2;1H/q+1;/p-1
InChIKey MRTIGXLIXIMHNN-UHFFFAOYSA-M
Literature Reference Author F.OOMS,J.WOUTERS,F.DURANT,N.CASTAGNOLI,C.V.LAND,G.DOCKENDOLF ,T.GLASS,C.J.VANDERS
Literature Reference Citation J.CHEM.SOC.PERKIN-2,2627(1997)
Literature Reference DOI 10.1039/a705037b
Molecular Weight 390.284 g/mol
Solvent CD3OD
Source File Reference UWRU6343