| SpectraBase Spectrum ID |
HCVM1JQ9u8y |
| Name |
2-[(3R,4S)-4-(4-Chlorophenyl)-1-methyl-piperidin-3-ylmethylsulfanyl]-N-isopropyl-acetamide |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H27ClN2OS |
| InChI |
InChI=1S/C18H27ClN2OS/c1-13(2)20-18(22)12-23-11-15-10-21(3)9-8-17(15)14-4-6-16(19)7-5-14/h4-7,13,15,17H,8-12H2,1-3H3,(H,20,22)/t15-,17-/m1/s1 |
| InChIKey |
GPNABXAHBDYHFE-NVXWUHKLSA-N |
| Ionization Type |
EI |
| Molecular Weight |
354.940 g/mol |
| Optical Rotation |
[a]D25 = +72.7 (c = 0.55, CHCl3) |
| SMILES |
N(C(CSC[C@]1(CN(CC[C@@]1(c1ccc(cc1)Cl)[H])C)[H])=O)C(C)C |
| SPLASH |
splash10-0uxr-0390000000-43a9ffb37448120e2d38 |
| Source of Spectrum |
US8153657B2 |
| Thin-Layer Chromatography |
Rf = 0.40 (EtOAc/Et3N, 10:1) |
| Wiley ID |
1845213 |
![2-[(3R,4S)-4-(4-Chlorophenyl)-1-methyl-piperidin-3-ylmethylsulfanyl]-N-isopropyl-acetamide](/api/spectrum/HCVM1JQ9u8y/structure.png?h=300&w=458 "2-[(3R,4S)-4-(4-Chlorophenyl)-1-methyl-piperidin-3-ylmethylsulfanyl]-N-isopropyl-acetamide")
