| SpectraBase Spectrum ID |
8HYbze2mrWv |
| Name |
2-[(3R,4S)-4-(4-Chlorophenyl)-1-methyl-piperidin-3-ylmethylsulfanyl]-N,N-dimethyl-acetamide |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H25ClN2OS |
| InChI |
InChI=1S/C17H25ClN2OS/c1-19(2)17(21)12-22-11-14-10-20(3)9-8-16(14)13-4-6-15(18)7-5-13/h4-7,14,16H,8-12H2,1-3H3/t14-,16-/m1/s1 |
| InChIKey |
OHRYFAGGXYRPNT-GDBMZVCRSA-N |
| Ionization Type |
EI |
| Molecular Weight |
340.913 g/mol |
| Optical Rotation |
[a]D25 = +75.3 (c = 0.38, CHCl3) |
| SMILES |
C(CSC[C@]1(CN(CC[C@@]1(c1ccc(cc1)Cl)[H])C)[H])(=O)N(C)C |
| SPLASH |
splash10-0uxr-0590000000-68a7ccad4f07edfb8df8 |
| Source of Spectrum |
US8153657B2 |
| Thin-Layer Chromatography |
Rf = 0.28 (EtOAc/Et3N, 10:1) |
| Wiley ID |
1845211 |
![2-[(3R,4S)-4-(4-Chlorophenyl)-1-methyl-piperidin-3-ylmethylsulfanyl]-N,N-dimethyl-acetamide](/api/spectrum/8HYbze2mrWv/structure.png?h=300&w=458 "2-[(3R,4S)-4-(4-Chlorophenyl)-1-methyl-piperidin-3-ylmethylsulfanyl]-N,N-dimethyl-acetamide")
