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4-{2-[(p-chlorophenyl)phenylmethoxy]ethyl}-1-piperazinepropionic acid, maleate(1:2)
SpectraBase Compound ID AsUAyYF7PMV
InChI InChI=1S/C22H27ClN2O3.2C4H4O4/c23-20-8-6-19(7-9-20)22(18-4-2-1-3-5-18)28-17-16-25-14-12-24(13-15-25)11-10-21(26)27;2*5-3(6)1-2-4(7)8/h1-9,22H,10-17H2,(H,26,27);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-
InChIKey WJESMIVRURIVGH-SPIKMXEPSA-N
Mol Weight 635.07 g/mol
Molecular Formula C30H35ClN2O11
Exact Mass 634.192938 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BLet6TiXF8s
Name 4-{2-[(p-chlorophenyl)phenylmethoxy]ethyl}-1-piperazinepropionic acid, maleate(1:2)
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Formula C30H35ClN2O11
InChI InChI=1S/C22H27ClN2O3.2C4H4O4/c23-20-8-6-19(7-9-20)22(18-4-2-1-3-5-18)28-17-16-25-14-12-24(13-15-25)11-10-21(26)27;2*5-3(6)1-2-4(7)8/h1-9,22H,10-17H2,(H,26,27);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-
InChIKey WJESMIVRURIVGH-SPIKMXEPSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 35232M
Solvent Polysol