| SpectraBase Spectrum ID |
KLPXV1oBy5C |
| Name |
2-[(3R,4S)-4-(4-Chlorophenyl)-1-methyl-piperidin-3-ylmethanesulfinyl]-1-piperidin-1-yl-ethanone |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H29ClN2O2S |
| InChI |
InChI=1S/C20H29ClN2O2S/c1-22-12-9-19(16-5-7-18(21)8-6-16)17(13-22)14-26(25)15-20(24)23-10-3-2-4-11-23/h5-8,17,19H,2-4,9-15H2,1H3/t17-,19-,26?/m1/s1 |
| InChIKey |
UYZIOAGSIQKHRT-HUKSEONBSA-N |
| Ionization Type |
EI |
| Molecular Weight |
396.977 g/mol |
| Optical Rotation |
[a]D25 = +79.0 (c = 0.39, CHCl3) |
| SMILES |
C(=O)(N1CCCCC1)CS(C[C@@]1([C@@](c2ccc(Cl)cc2)(CCN(C)C1)[H])[H])=O |
| SPLASH |
splash10-00di-0490000000-ff447cc00e5fcb6ee104 |
| Source of Spectrum |
US8153657B2 |
| Thin-Layer Chromatography |
Rf = 0.46 (EtOAc/MeOH/Et3N, 8:1:1) |
| Wiley ID |
1845216 |
![2-[(3R,4S)-4-(4-Chlorophenyl)-1-methyl-piperidin-3-ylmethanesulfinyl]-1-piperidin-1-yl-ethanone](/api/spectrum/KLPXV1oBy5C/structure.png?h=300&w=458 "2-[(3R,4S)-4-(4-Chlorophenyl)-1-methyl-piperidin-3-ylmethanesulfinyl]-1-piperidin-1-yl-ethanone")
