| SpectraBase Spectrum ID |
E8fEGvMVIJ0 |
| Name |
(3R,4S)-4-(4-Chlorophenyl)-1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-ylmethylsulfanylmethyl)-piperidine |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H22ClN3OS |
| InChI |
InChI=1S/C17H22ClN3OS/c1-12-19-17(22-20-12)11-23-10-14-9-21(2)8-7-16(14)13-3-5-15(18)6-4-13/h3-6,14,16H,7-11H2,1-2H3/t14-,16-/m1/s1 |
| InChIKey |
ZDFZEYIOEFWTFE-GDBMZVCRSA-N |
| Ionization Type |
EI |
| Molecular Weight |
351.896 g/mol |
| Optical Rotation |
[a]D25 = +106.0 (c = 0.52, CHCl3) |
| SMILES |
C1N(CC[C@@]([C@]1(CSCc1onc(n1)C)[H])(c1ccc(cc1)Cl)[H])C |
| SPLASH |
splash10-0v4i-0890000000-ca59e07104342a363ab9 |
| Source of Spectrum |
US8153657B2 |
| Thin-Layer Chromatography |
Rf = 0.54 (EtOAc/Et3N, 10:1) |
| Wiley ID |
1845217 |
