| SpectraBase Spectrum ID |
5mZKskL2sin |
| Name |
2-[(3R,4S)-4-(4-Chlorophenyl)-piperidin-3-ylmethanesulfinyl]-acetamide |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H19ClN2O2S |
| InChI |
InChI=1S/C14H19ClN2O2S/c15-12-3-1-10(2-4-12)13-5-6-17-7-11(13)8-20(19)9-14(16)18/h1-4,11,13,17H,5-9H2,(H2,16,18)/t11-,13-,20?/m1/s1 |
| InChIKey |
HTNCAQKKLWFUAC-MOHVOCJISA-N |
| Ionization Type |
EI |
| Molecular Weight |
314.831 g/mol |
| Optical Rotation |
[a]D25 = +72.2 (c = 0.21, CHCl3) |
| SMILES |
NC(CS(C[C@@]1([C@](CCNC1)(c1ccc(Cl)cc1)[H])[H])=O)=O |
| SPLASH |
splash10-0a4i-0490000000-8c3ff3e0bd2df237623c |
| Source of Spectrum |
US8153657B2 |
| Thin-Layer Chromatography |
Rf = 0.27 (EtOAc/MeOH/Et3N/NH3.H2O, 60:19:19:2) |
| Wiley ID |
1845222 |
![2-[(3R,4S)-4-(4-Chlorophenyl)-piperidin-3-ylmethanesulfinyl]-acetamide](/api/spectrum/5mZKskL2sin/structure.png?h=300&w=458 "2-[(3R,4S)-4-(4-Chlorophenyl)-piperidin-3-ylmethanesulfinyl]-acetamide")
