| SpectraBase Spectrum ID |
2ksujcRuz2S |
| Name |
(S)-2-(2-hydroxyethyl)-2-(m-tolyl)cyclopentan-1-one |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
218.130679818 u |
| Formula |
C14H18O2 |
| InChI |
InChI=1S/C14H18O2/c1-11-4-2-5-12(10-11)14(8-9-15)7-3-6-13(14)16/h2,4-5,10,15H,3,6-9H2,1H3/t14-/m0/s1 |
| InChIKey |
ADGZYAPHALKUMX-AWEZNQCLSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201502700 |
| Molecular Weight |
218.296 g/mol |
| Optical Rotation |
[a]D22 = -96.0 (c = 1.0, CHCl3) |
| Quality |
89 |
| SMILES |
OCC[C@]1(C(CCC1)=O)C1=CC=CC(=C1)C |
| SPLASH |
splash10-067i-9100000000-d148d7796fba995cc5fd |
| Sample Comments |
95% ee |
| Source of Spectrum |
QE-21-SM19-3f (DOI: 10.1002/chem.201502700) |
| Wiley ID |
1907241 |
