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4-{2-[(p-fluorophenyl)phenylmethoxy]ethyl}-1-piperazinebutyric acid, maleate(1:2)
SpectraBase Compound ID E3hx0lUHjgH
InChI InChI=1S/C23H29FN2O3.2C4H4O4/c24-21-10-8-20(9-11-21)23(19-5-2-1-3-6-19)29-18-17-26-15-13-25(14-16-26)12-4-7-22(27)28;2*5-3(6)1-2-4(7)8/h1-3,5-6,8-11,23H,4,7,12-18H2,(H,27,28);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-
InChIKey LRTYODMAKVKHOS-SPIKMXEPSA-N
Mol Weight 632.64 g/mol
Molecular Formula C31H37FN2O11
Exact Mass 632.238138 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9mpt5qKRvA
Name 4-{2-[(p-fluorophenyl)phenylmethoxy]ethyl}-1-piperazinebutyric acid, maleate(1:2)
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Formula C31H37FN2O11
InChI InChI=1S/C23H29FN2O3.2C4H4O4/c24-21-10-8-20(9-11-21)23(19-5-2-1-3-6-19)29-18-17-26-15-13-25(14-16-26)12-4-7-22(27)28;2*5-3(6)1-2-4(7)8/h1-3,5-6,8-11,23H,4,7,12-18H2,(H,27,28);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-
InChIKey LRTYODMAKVKHOS-SPIKMXEPSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 35228M
Solvent Polysol