![4-{2-[(alpha-Propylbenzyl)oxy]ethyl}-1-piperazinepropionic acid, maleate(1:2)](/api/spectrum/AkHifEX6mtY/structure.png?h=300&w=458 "4-{2-[(alpha-Propylbenzyl)oxy]ethyl}-1-piperazinepropionic acid, maleate(1:2)")
| SpectraBase Compound ID | DtvOv3TE5DZ |
|---|---|
| InChI | InChI=1S/C19H30N2O3.2C4H4O4/c1-2-6-18(17-7-4-3-5-8-17)24-16-15-21-13-11-20(12-14-21)10-9-19(22)23;2*5-3(6)1-2-4(7)8/h3-5,7-8,18H,2,6,9-16H2,1H3,(H,22,23);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1- |
| InChIKey | DVDKKYGYPMOIBT-SPIKMXEPSA-N |
| Mol Weight | 566.6 g/mol |
| Molecular Formula | C27H38N2O11 |
| Exact Mass | 566.24756 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AkHifEX6mtY |
|---|---|
| Name | 4-{2-[(alpha-Propylbenzyl)oxy]ethyl}-1-piperazinepropionic acid, maleate(1:2) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 566.247560041 u |
| Formula | C27H38N2O11 |
| InChI | InChI=1S/C19H30N2O3.2C4H4O4/c1-2-6-18(17-7-4-3-5-8-17)24-16-15-21-13-11-20(12-14-21)10-9-19(22)23;2*5-3(6)1-2-4(7)8/h3-5,7-8,18H,2,6,9-16H2,1H3,(H,22,23);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1- |
| InChIKey | DVDKKYGYPMOIBT-SPIKMXEPSA-N |
| SMILES | OC(CCN1CCN(CC1)CCOC(C1=CC=CC=C1)CCC)=O.OC(\C=C/C(O)=O)=O.OC(\C=C/C(O)=O)=O |