| SpectraBase Spectrum ID |
6LBv7JEoAoF |
| Name |
2-[(3R,4S)-4-(4-Chlorophenyl)-1-methyl-piperidin-3-ylmethanesulfinyl]-N-hydroxy-acetamide |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H21ClN2O3S |
| InChI |
InChI=1S/C15H21ClN2O3S/c1-18-7-6-14(11-2-4-13(16)5-3-11)12(8-18)9-22(21)10-15(19)17-20/h2-5,12,14,20H,6-10H2,1H3,(H,17,19)/t12-,14-,22?/m1/s1 |
| InChIKey |
IDGXSXYPWWIJPY-PBDXTPLQSA-N |
| Ionization Type |
EI |
| Molecular Weight |
344.857 g/mol |
| Optical Rotation |
[a]D25 = +35.4 (c = 0.31, CH3OH) |
| Reported Formula |
C15H21ClN2O3S |
| SMILES |
N(C(CS(=O)C[C@]1(CN(CC[C@@]1(c1ccc(cc1)Cl)[H])C)[H])=O)O |
| SPLASH |
splash10-0gi0-0890000000-76bcc474ed2615de5df1 |
| Source of Spectrum |
US8153657B2 |
| Thin-Layer Chromatography |
Rf = 0.16 (EtOAc/MeOH/Et3N/NH3.H2O, 60:19:19:2) |
| Wiley ID |
1845229 |
![2-[(3R,4S)-4-(4-Chlorophenyl)-1-methyl-piperidin-3-ylmethanesulfinyl]-N-hydroxy-acetamide](/api/spectrum/6LBv7JEoAoF/structure.png?h=300&w=458 "2-[(3R,4S)-4-(4-Chlorophenyl)-1-methyl-piperidin-3-ylmethanesulfinyl]-N-hydroxy-acetamide")
