![1-[3,3-diphenyl-2-methyl-4-oxo-4-(1-pyrrolidinyl)butyl]-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-4-piperidinol, monohydrochloride, dihydrate](/api/spectrum/HkAIQnqWSOV/structure.png?h=300&w=458 "1-[3,3-diphenyl-2-methyl-4-oxo-4-(1-pyrrolidinyl)butyl]-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-4-piperidinol, monohydrochloride, dihydrate")
| SpectraBase Compound ID | AbtB5txSlwq |
|---|---|
| InChI | InChI=1S/C33H37F3N2O2.ClH.2H2O/c1-25(24-37-21-17-31(40,18-22-37)28-15-10-16-29(23-28)33(34,35)36)32(26-11-4-2-5-12-26,27-13-6-3-7-14-27)30(39)38-19-8-9-20-38;;;/h2-7,10-16,23,25,40H,8-9,17-22,24H2,1H3;1H;2*1H2 |
| InChIKey | NMDNBUMSLRSEOK-UHFFFAOYSA-N |
| Mol Weight | 623.2 g/mol |
| Molecular Formula | C33H42ClF3N2O4 |
| Exact Mass | 622.27852 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HkAIQnqWSOV |
|---|---|
| Name | 1-[3,3-diphenyl-2-methyl-4-oxo-4-(1-pyrrolidinyl)butyl]-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-4-piperidinol, monohydrochloride, dihydrate |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H42ClF3N2O4 |
| InChI | InChI=1S/C33H37F3N2O2.ClH.2H2O/c1-25(24-37-21-17-31(40,18-22-37)28-15-10-16-29(23-28)33(34,35)36)32(26-11-4-2-5-12-26,27-13-6-3-7-14-27)30(39)38-19-8-9-20-38;;;/h2-7,10-16,23,25,40H,8-9,17-22,24H2,1H3;1H;2*1H2 |
| InChIKey | NMDNBUMSLRSEOK-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 53967M |
| Solvent | DMSO-d6 |