| SpectraBase Spectrum ID |
AHkcnI2NLMT |
| Name |
2-[(3R,4S)-4-(4-Chlorophenyl)-1-methyl-piperidin-3-ylmethanesulfinyl]-N,N-dimethyl-acetamide |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H25ClN2O2S |
| InChI |
InChI=1S/C17H25ClN2O2S/c1-19(2)17(21)12-23(22)11-14-10-20(3)9-8-16(14)13-4-6-15(18)7-5-13/h4-7,14,16H,8-12H2,1-3H3/t14-,16-,23?/m1/s1 |
| InChIKey |
MHTHGYXELORNEW-VQQIUHDESA-N |
| Ionization Type |
EI |
| Molecular Weight |
356.912 g/mol |
| Optical Rotation |
[a]D25 = +93.1 (c = 0.48, CHCl3) |
| SMILES |
C(CS(=O)C[C@]1(CN(CC[C@@]1(c1ccc(cc1)Cl)[H])C)[H])(=O)N(C)C |
| SPLASH |
splash10-00di-0490000000-2744faf4302d878ac7e1 |
| Source of Spectrum |
US8153657B2 |
| Thin-Layer Chromatography |
Rf = 0.34 (EtOAc/MeOH/Et3N, 8:1:1) |
| Wiley ID |
1845212 |
![2-[(3R,4S)-4-(4-Chlorophenyl)-1-methyl-piperidin-3-ylmethanesulfinyl]-N,N-dimethyl-acetamide](/api/spectrum/AHkcnI2NLMT/structure.png?h=300&w=458 "2-[(3R,4S)-4-(4-Chlorophenyl)-1-methyl-piperidin-3-ylmethanesulfinyl]-N,N-dimethyl-acetamide")
