![3-benzoyl-1-{1-[2-(indol-3-yl)ethyl]-4-piperidyl}-1-methylurea, monohydrochloride, hemihydrate](/api/spectrum/3jPrKn8jeVY/structure.png?h=300&w=458 "3-benzoyl-1-{1-[2-(indol-3-yl)ethyl]-4-piperidyl}-1-methylurea, monohydrochloride, hemihydrate")
| SpectraBase Compound ID | 8XD9KsCZuFj |
|---|---|
| InChI | InChI=1S/2C24H28N4O2.2ClH.H2O/c2*1-27(24(30)26-23(29)18-7-3-2-4-8-18)20-12-15-28(16-13-20)14-11-19-17-25-22-10-6-5-9-21(19)22;;;/h2*2-10,17,20,25H,11-16H2,1H3,(H,26,29,30);2*1H;1H2 |
| InChIKey | NLQXMRJBINMCSZ-UHFFFAOYSA-N |
| Mol Weight | 449.983 g/mol |
| Molecular Formula | C24H29ClN4O2·½H2O |
| Exact Mass | 449.203186 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3jPrKn8jeVY |
|---|---|
| Name | 3-benzoyl-1-{1-[2-(indol-3-yl)ethyl]-4-piperidyl}-1-methylurea, monohydrochloride, hemihydrate |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H31ClN4O3 |
| InChI | InChI=1S/2C24H28N4O2.2ClH.H2O/c2*1-27(24(30)26-23(29)18-7-3-2-4-8-18)20-12-15-28(16-13-20)14-11-19-17-25-22-10-6-5-9-21(19)22;;;/h2*2-10,17,20,25H,11-16H2,1H3,(H,26,29,30);2*1H;1H2 |
| InChIKey | NLQXMRJBINMCSZ-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 36654M |
| Solvent | Polysol |