| SpectraBase Spectrum ID |
EudqZXJehKZ |
| Name |
(3R,4S)-[4-(4-Chlorophenyl)-1-methyl-piperidin-3-ylmethylsulfanyl]-acetic acid |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H20ClNO2S |
| InChI |
InChI=1S/C15H20ClNO2S/c1-17-7-6-14(11-2-4-13(16)5-3-11)12(8-17)9-20-10-15(18)19/h2-5,12,14H,6-10H2,1H3,(H,18,19)/t12-,14-/m1/s1 |
| InChIKey |
NWDSPDWPGOFVNP-TZMCWYRMSA-N |
| Ionization Type |
EI |
| Molecular Weight |
313.843 g/mol |
| Optical Rotation |
[a]D25 = +74.1 (c = 0.14, CH3OH) |
| SMILES |
OC(CSC[C@]1(CN(CC[C@@]1(c1ccc(cc1)Cl)[H])C)[H])=O |
| SPLASH |
splash10-0gb9-0970000000-c590261965118fda6914 |
| Source of Spectrum |
US8153657B2 |
| Wiley ID |
1845207 |
![(3R,4S)-[4-(4-Chlorophenyl)-1-methyl-piperidin-3-ylmethylsulfanyl]-acetic acid](/api/spectrum/EudqZXJehKZ/structure.png?h=300&w=458 "(3R,4S)-[4-(4-Chlorophenyl)-1-methyl-piperidin-3-ylmethylsulfanyl]-acetic acid")
