| SpectraBase Spectrum ID |
31PyNYzYEy |
| Name |
(2S)-2-(4-chlorophenyl)-2-(2-hydroxyethyl)cyclopentanone |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
238.076057421 u |
| Formula |
C13H15ClO2 |
| InChI |
InChI=1S/C13H15ClO2/c14-11-5-3-10(4-6-11)13(8-9-15)7-1-2-12(13)16/h3-6,15H,1-2,7-9H2/t13-/m0/s1 |
| InChIKey |
AUHAJTHUWUDFTO-ZDUSSCGKSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201502700 |
| Molecular Weight |
238.714 g/mol |
| Optical Rotation |
[a]D22 = -63.0 (c = 1.0, CHCl3) |
| Quality |
189 |
| SMILES |
OCC[C@]1(C(CCC1)=O)C1=CC=C(C=C1)Cl |
| SPLASH |
splash10-0aor-9000000000-67633662721232f9b1cb |
| Sample Comments |
91% ee |
| Source of Spectrum |
QE-21-SM18-3d (DOI: 10.1002/chem.201502700) |
| Wiley ID |
1907239 |
