| SpectraBase Spectrum ID |
3PGkGgtYzWz |
| Name |
(3R,4S)-4-(4-Chlorophenyl)-3-(2-methoxyethylsulfanylmethyl)-1-methyl-piperidine |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H24ClNOS |
| InChI |
InChI=1S/C16H24ClNOS/c1-18-8-7-16(13-3-5-15(17)6-4-13)14(11-18)12-20-10-9-19-2/h3-6,14,16H,7-12H2,1-2H3/t14-,16-/m1/s1 |
| InChIKey |
SMAZEWZYKHXETB-GDBMZVCRSA-N |
| Ionization Type |
EI |
| Molecular Weight |
313.887 g/mol |
| Optical Rotation |
[a]D25 = +84.6 (c = 0.46, CHCl3) |
| SMILES |
C1N(CC[C@@]([C@]1(CSCCOC)[H])(c1ccc(cc1)Cl)[H])C |
| SPLASH |
splash10-0rr0-0491000000-13bf09ef692262e722f5 |
| Source of Spectrum |
US8153657B2 |
| Thin-Layer Chromatography |
Rf = 0.44 (EtOAc/Et3N, 10:1), 0.68 (EtOAc/MeOH/Et3N, 8:1:1) |
| Wiley ID |
1845205 |
