SpectraBase Compound ID | JGQRT1BjkyZ |
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InChI | InChI=1S/C22H27FN2O3.2C4H4O4/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 | GBKXTVMZPAEDSP-SPIKMXEPSA-N |
Mol Weight | 618.61 g/mol |
Molecular Formula | C30H35FN2O11 |
Exact Mass | 618.222488 g/mol |
SpectraBase Spectrum ID | 9mPurt9Zjcd |
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Name | 4-{2-[(p-fluorophenyl)phenylmethoxy]ethyl}-1-piperazinepropionic acid, maleate(1:2) |
Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C30H35FN2O11 |
InChI | InChI=1S/C22H27FN2O3.2C4H4O4/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 | GBKXTVMZPAEDSP-SPIKMXEPSA-N |
Instrument Name | Varian CFT-20 |
Sadtler NMR Number | 35227M |
Solvent | Polysol |