| SpectraBase Spectrum ID |
HxFcf7OkbOZ |
| Name |
2-[(3R,4S)-4-(4-Chlorophenyl)-1-methyl-piperidin-3-ylmethanesulfinyl]-N-methyl-acetamide |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H23ClN2O2S |
| InChI |
InChI=1S/C16H23ClN2O2S/c1-18-16(20)11-22(21)10-13-9-19(2)8-7-15(13)12-3-5-14(17)6-4-12/h3-6,13,15H,7-11H2,1-2H3,(H,18,20)/t13-,15-,22?/m1/s1 |
| InChIKey |
NUWWATJCPPEDJK-DJCLOVHTSA-N |
| Ionization Type |
EI |
| Molecular Weight |
342.885 g/mol |
| Optical Rotation |
[a]D25 = +77.0 (c = 0.34, CHCl3) |
| SMILES |
N(C(CS(=O)C[C@]1(CN(CC[C@@]1(c1ccc(cc1)Cl)[H])C)[H])=O)C |
| SPLASH |
splash10-00di-0290000000-a93ee606b59b6dded639 |
| Source of Spectrum |
US8153657B2 |
| Thin-Layer Chromatography |
Rf = 0.27 (EtOAc/MeOH/Et3N, 8:1:1) |
| Wiley ID |
1845210 |
![2-[(3R,4S)-4-(4-Chlorophenyl)-1-methyl-piperidin-3-ylmethanesulfinyl]-N-methyl-acetamide](/api/spectrum/HxFcf7OkbOZ/structure.png?h=300&w=458 "2-[(3R,4S)-4-(4-Chlorophenyl)-1-methyl-piperidin-3-ylmethanesulfinyl]-N-methyl-acetamide")
