| SpectraBase Spectrum ID |
LJufPO80gC7 |
| Name |
2-[(3R,4S)-4-(4-Chlorophenyl)-1-methyl-piperidin-3-ylmethylsulfanyl]-acetic Acid Methyl Ester |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H22ClNO2S |
| InChI |
InChI=1S/C16H22ClNO2S/c1-18-8-7-15(12-3-5-14(17)6-4-12)13(9-18)10-21-11-16(19)20-2/h3-6,13,15H,7-11H2,1-2H3/t13-,15-/m1/s1 |
| InChIKey |
IZICDKSTJHYQIZ-UKRRQHHQSA-N |
| Ionization Type |
EI |
| Molecular Weight |
327.870 g/mol |
| Optical Rotation |
[a]D25 = +97.8 (c = 0.27, CHCl3) |
| SMILES |
C(CSC[C@]1(CN(CC[C@@]1(c1ccc(cc1)Cl)[H])C)[H])(=O)OC |
| SPLASH |
splash10-0uxr-0490000000-a248f5e3071530d70c3f |
| Source of Spectrum |
US8153657B2 |
| Thin-Layer Chromatography |
Rf = 0.41 (EtOAc/Et3N, 10:1), 0.63 (EtOAc/MeOH/Et3N, 8:1:1) |
| Wiley ID |
1845223 |
![2-[(3R,4S)-4-(4-Chlorophenyl)-1-methyl-piperidin-3-ylmethylsulfanyl]-acetic Acid Methyl Ester](/api/spectrum/LJufPO80gC7/structure.png?h=300&w=458 "2-[(3R,4S)-4-(4-Chlorophenyl)-1-methyl-piperidin-3-ylmethylsulfanyl]-acetic Acid Methyl Ester")
