| SpectraBase Spectrum ID |
4NwCovyMHtn |
| Name |
Acetic Acid 2-[(3R,4S)-4-(4-Chlorophenyl)-1-methyl-piperidin-3-ylmethylsulfanyl]-ethyl Ester |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H24ClNO2S |
| InChI |
InChI=1S/C17H24ClNO2S/c1-13(20)21-9-10-22-12-15-11-19(2)8-7-17(15)14-3-5-16(18)6-4-14/h3-6,15,17H,7-12H2,1-2H3/t15-,17-/m1/s1 |
| InChIKey |
NGCOVFQZQYNLNZ-NVXWUHKLSA-N |
| Ionization Type |
EI |
| Molecular Weight |
341.897 g/mol |
| Optical Rotation |
[a]D25 = +83.0 (c = 0.54, CHCl3) |
| SMILES |
C(C)(=O)OCCSC[C@]1(CN(CC[C@@]1(c1ccc(cc1)Cl)[H])C)[H] |
| SPLASH |
splash10-0v4i-0890000000-51e4d97b757c55782d13 |
| Source of Spectrum |
US8153657B2 |
| Thin-Layer Chromatography |
Rf = 0.57 (EtOAc/Et3N, 10:1) |
| Wiley ID |
1845200 |
![Acetic Acid 2-[(3R,4S)-4-(4-Chlorophenyl)-1-methyl-piperidin-3-ylmethylsulfanyl]-ethyl Ester](/api/spectrum/4NwCovyMHtn/structure.png?h=300&w=458 "Acetic Acid 2-[(3R,4S)-4-(4-Chlorophenyl)-1-methyl-piperidin-3-ylmethylsulfanyl]-ethyl Ester")
