| SpectraBase Spectrum ID |
CzHsHdMmnwA |
| Name |
2-[(3R,4S)-4-(4-Chlorophenyl)-1-methyl-piperidin-3-ylmethanesulfinyl]-N-isopropyl-acetamide |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H27ClN2O2S |
| InChI |
InChI=1S/C18H27ClN2O2S/c1-13(2)20-18(22)12-24(23)11-15-10-21(3)9-8-17(15)14-4-6-16(19)7-5-14/h4-7,13,15,17H,8-12H2,1-3H3,(H,20,22)/t15-,17-,24?/m1/s1 |
| InChIKey |
TVJWNQXHBUULSP-DHHRQEIGSA-N |
| Ionization Type |
EI |
| Molecular Weight |
370.939 g/mol |
| Optical Rotation |
[a]D25 = +76.8 (c = 0.50, CHCl3) |
| SMILES |
N(C(=O)CS(C[C@@]1([C@@](c2ccc(Cl)cc2)(CCN(C)C1)[H])[H])=O)C(C)C |
| SPLASH |
splash10-00di-0590000000-e385806364f2c92e7a0a |
| Source of Spectrum |
US8153657B2 |
| Thin-Layer Chromatography |
Rf = 0.57 (EtOAc/MeOH/Et3N, 8:1:1) |
| Wiley ID |
1845214 |
![2-[(3R,4S)-4-(4-Chlorophenyl)-1-methyl-piperidin-3-ylmethanesulfinyl]-N-isopropyl-acetamide](/api/spectrum/CzHsHdMmnwA/structure.png?h=300&w=458 "2-[(3R,4S)-4-(4-Chlorophenyl)-1-methyl-piperidin-3-ylmethanesulfinyl]-N-isopropyl-acetamide")
