| SpectraBase Spectrum ID |
8Ta2Qw8FkMZ |
| Name |
(S)-2-(2-hydroxyethyl)-2-(4-(trifluoromethyl)phenyl)cyclopentan-1-one |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
272.102414210 u |
| Formula |
C14H15F3O2 |
| InChI |
InChI=1S/C14H15F3O2/c15-14(16,17)11-5-3-10(4-6-11)13(8-9-18)7-1-2-12(13)19/h3-6,18H,1-2,7-9H2/t13-/m0/s1 |
| InChIKey |
QWUZEVLREDQVBQ-ZDUSSCGKSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201502700 |
| Molecular Weight |
272.267 g/mol |
| Optical Rotation |
[a]D22 = -12.0 (c = 1.0, CHCl3) |
| Quality |
108 |
| SMILES |
OCC[C@]1(C(CCC1)=O)C1=CC=C(C=C1)C(F)(F)F |
| SPLASH |
splash10-0aos-9000000000-31ee49513216638275b4 |
| Sample Comments |
93% ee |
| Source of Spectrum |
QE-21-SM18-3e (DOI: 10.1002/chem.201502700) |
| Wiley ID |
1907240 |
