| SpectraBase Spectrum ID |
7vpvxWP6XHf |
| Name |
(3R,4S)-4-(4-Chlorophenyl)-3-(iodomethyl)-1-methylpiperidine |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H17ClIN |
| InChI |
InChI=1S/C13H17ClIN/c1-16-7-6-13(11(8-15)9-16)10-2-4-12(14)5-3-10/h2-5,11,13H,6-9H2,1H3/t11-,13+/m0/s1 |
| InChIKey |
OCCOPDTVLJQBPD-WCQYABFASA-N |
| Ionization Type |
EI |
| Molecular Weight |
349.643 g/mol |
| Optical Rotation |
[a]D25 = +56.40 (c = 0.28, CHCl3) |
| SMILES |
C1N(CC[C@@]([C@]1(CI)[H])(c1ccc(cc1)Cl)[H])C |
| SPLASH |
splash10-00di-0691000000-b734d426b293bebb55fb |
| Source of Spectrum |
US8153657B2 |
| Wiley ID |
1845220 |
