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1-{2-[bis(p-Fluorophenyl)methoxy]ethyl}-4-[3-(p-fluorophenyl)propyl]piperazine, dimethanesulfonate

View entire compound with spectra: 2 NMR, and 1 FTIR

1-{2-[bis(p-Fluorophenyl)methoxy]ethyl}-4-[3-(p-fluorophenyl)propyl]piperazine, dimethanesulfonate
SpectraBase Compound ID C7VZiFFAE0T
InChI InChI=1S/C28H31F3N2O.2CH4O3S/c29-25-9-3-22(4-10-25)2-1-15-32-16-18-33(19-17-32)20-21-34-28(23-5-11-26(30)12-6-23)24-7-13-27(31)14-8-24;2*1-5(2,3)4/h3-14,28H,1-2,15-21H2;2*1H3,(H,2,3,4)
InChIKey HDZUAWFACXESQE-UHFFFAOYSA-N
Mol Weight 660.76 g/mol
Molecular Formula C30H39F3N2O7S2
Exact Mass 660.215078 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jm5mTHPBHU0
Name 1-{2-[bis(p-Fluorophenyl)methoxy]ethyl}-4-[3-(p-fluorophenyl)propyl]piperazine, dimethanesulfonate
Comments Computed using HOSE algorithm
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Exact Mass 660.215078434 u
Formula C30H39F3N2O7S2
InChI InChI=1S/C28H31F3N2O.2CH4O3S/c29-25-9-3-22(4-10-25)2-1-15-32-16-18-33(19-17-32)20-21-34-28(23-5-11-26(30)12-6-23)24-7-13-27(31)14-8-24;2*1-5(2,3)4/h3-14,28H,1-2,15-21H2;2*1H3,(H,2,3,4)
InChIKey HDZUAWFACXESQE-UHFFFAOYSA-N
Molecular Weight 660.764 g/mol
SMILES OS(C)(=O)=O.OS(C)(=O)=O.C=1C(=CC=C(C1)F)CCCN1CCN(CC1)CCOC(C=1C=CC(=CC1)F)C=1C=CC(=CC1)F