| SpectraBase Spectrum ID |
JGTK4gJqkV5 |
| Name |
2-[(3R,4S)-4-(4-Chlorophenyl)-1-methyl-piperidin-3-ylmethanesulfinyl]-acetic Acid Methyl Ester |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H22ClNO3S |
| InChI |
InChI=1S/C16H22ClNO3S/c1-18-8-7-15(12-3-5-14(17)6-4-12)13(9-18)10-22(20)11-16(19)21-2/h3-6,13,15H,7-11H2,1-2H3/t13-,15-,22?/m1/s1 |
| InChIKey |
SVDJATZZTSSCDA-DJCLOVHTSA-N |
| Ionization Type |
EI |
| Molecular Weight |
343.869 g/mol |
| Optical Rotation |
[a]D25 = +67.8 (c = 0.80, CHCl3) |
| Reported Formula |
C16H22ClNO3S |
| SMILES |
C(CS(=O)C[C@]1(CN(CC[C@@]1(c1ccc(cc1)Cl)[H])C)[H])(=O)OC |
| SPLASH |
splash10-00fr-0893000000-72798e61008e04073715 |
| Source of Spectrum |
US8153657B2 |
| Thin-Layer Chromatography |
Rf = 0.21 (EtOAc/Et3N, 10:1) |
| Wiley ID |
1845227 |
![2-[(3R,4S)-4-(4-Chlorophenyl)-1-methyl-piperidin-3-ylmethanesulfinyl]-acetic Acid Methyl Ester](/api/spectrum/JGTK4gJqkV5/structure.png?h=300&w=458 "2-[(3R,4S)-4-(4-Chlorophenyl)-1-methyl-piperidin-3-ylmethanesulfinyl]-acetic Acid Methyl Ester")
