| SpectraBase Spectrum ID |
G10ClKbki4q |
| Name |
Acetic Acid 2-[(3R,4S)-4-(4-Chlorophenyl)-1-methyl-piperidin-3-ylmethanesulfinyl]-ethyl Ester |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H24ClNO3S |
| InChI |
InChI=1S/C17H24ClNO3S/c1-13(20)22-9-10-23(21)12-15-11-19(2)8-7-17(15)14-3-5-16(18)6-4-14/h3-6,15,17H,7-12H2,1-2H3/t15-,17-,23?/m1/s1 |
| InChIKey |
ZUHFHBFMBYNBLT-XRUGMTJOSA-N |
| Ionization Type |
EI |
| Molecular Weight |
357.896 g/mol |
| Optical Rotation |
[a]D25 = +74.0 (c = 0.27, CHCl3) |
| SMILES |
C(C)(=O)OCCS(=O)C[C@]1(CN(CC[C@@]1(c1ccc(cc1)Cl)[H])C)[H] |
| SPLASH |
splash10-0v4l-0894000000-56367121a768d9051cde |
| Source of Spectrum |
US8153657B2 |
| Thin-Layer Chromatography |
Rf = 0.17 (EtOAc/Et3N, 10:1) |
| Wiley ID |
1845201 |
![Acetic Acid 2-[(3R,4S)-4-(4-Chlorophenyl)-1-methyl-piperidin-3-ylmethanesulfinyl]-ethyl Ester](/api/spectrum/G10ClKbki4q/structure.png?h=300&w=458 "Acetic Acid 2-[(3R,4S)-4-(4-Chlorophenyl)-1-methyl-piperidin-3-ylmethanesulfinyl]-ethyl Ester")
