| SpectraBase Spectrum ID |
5YQHT1XKUgv |
| Name |
(2S)-2-(2-hydroxyethyl)-2-(p-tolyl)cyclopentanone |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
218.130679818 u |
| Formula |
C14H18O2 |
| InChI |
InChI=1S/C14H18O2/c1-11-4-6-12(7-5-11)14(9-10-15)8-2-3-13(14)16/h4-7,15H,2-3,8-10H2,1H3/t14-/m0/s1 |
| InChIKey |
JCWKLDNTRKPCAZ-AWEZNQCLSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201502700 |
| Molecular Weight |
218.296 g/mol |
| Optical Rotation |
[a]D22 = -40.0 (c = 1.0, CHCl3) |
| Quality |
163 |
| SMILES |
OCC[C@]1(C(CCC1)=O)C1=CC=C(C=C1)C |
| SPLASH |
splash10-0api-9000000000-b016a0419f9177d27afe |
| Sample Comments |
95% ee |
| Source of Spectrum |
QE-21-SM17-3b (DOI: 10.1002/chem.201502700) |
| Wiley ID |
1907237 |
