| SpectraBase Spectrum ID |
3XH0aaiOvPq |
| Name |
(3R,4S)-4-(4-Chlorophenyl)-3-(2-methoxyethanesulfinylmethyl)-1-methyl-piperidine |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H24ClNO2S |
| InChI |
InChI=1S/C16H24ClNO2S/c1-18-8-7-16(13-3-5-15(17)6-4-13)14(11-18)12-21(19)10-9-20-2/h3-6,14,16H,7-12H2,1-2H3/t14-,16-,21?/m1/s1 |
| InChIKey |
UDEOFPYIOISAAV-SAEXGSRISA-N |
| Ionization Type |
EI |
| Molecular Weight |
329.886 g/mol |
| Optical Rotation |
[a]D25 = +80.8 (c = 0.37, CHCl3) |
| SMILES |
C1N(CC[C@@]([C@]1(CS(=O)CCOC)[H])(c1ccc(cc1)Cl)[H])C |
| SPLASH |
splash10-022i-0594000000-56fb84c7536b3d9384a9 |
| Source of Spectrum |
US8153657B2 |
| Thin-Layer Chromatography |
Rf = 0.28 (EtOAc/Et3N, 10:1) |
| Wiley ID |
1845206 |
