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2-FLUORO-1,3-BIS-[(1-AZA-4,7,13-TETRAOXACYCLOPENTADECYL)-METHYL]-BENZENE

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2-FLUORO-1,3-BIS-[(1-AZA-4,7,13-TETRAOXACYCLOPENTADECYL)-METHYL]-BENZENE
SpectraBase Compound ID 931ZmtHvXdR
InChI InChI=1S/C28H47FN2O8/c29-28-26(24-30-4-8-32-12-16-36-20-21-37-17-13-33-9-5-30)2-1-3-27(28)25-31-6-10-34-14-18-38-22-23-39-19-15-35-11-7-31/h1-3H,4-25H2
InChIKey FUAKRAARCCQXBB-UHFFFAOYSA-N
Mol Weight 558.7 g/mol
Molecular Formula C28H47FN2O8
Exact Mass 558.331645 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID v0fh7ZP553
Name 2-FLUORO-1,3-BIS-[(1-AZA-4,7,13-TETRAOXACYCLOPENTADECYL)-METHYL]-BENZENE
Compound Number F(NO4)2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H47FN2O8
InChI InChI=1S/C28H47FN2O8/c29-28-26(24-30-4-8-32-12-16-36-20-21-37-17-13-33-9-5-30)2-1-3-27(28)25-31-6-10-34-14-18-38-22-23-39-19-15-35-11-7-31/h1-3H,4-25H2
InChIKey FUAKRAARCCQXBB-UHFFFAOYSA-N
Literature Reference Author H.PLENIO,R.DIODONE
Literature Reference Citation J.AM.CHEM.SOC.,118,356(1996)
Literature Reference DOI 10.1021/ja952928a
Molecular Weight 558.688 g/mol
Sample ID 57205
Solvent CDCl3