| SpectraBase Spectrum ID |
11TLljvp9U |
| Name |
(S)-2-(2-hydroxyethyl)-2-(3-methoxyphenyl)cyclopentan-1-one |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
234.125594437 u |
| Formula |
C14H18O3 |
| InChI |
InChI=1S/C14H18O3/c1-17-12-5-2-4-11(10-12)14(8-9-15)7-3-6-13(14)16/h2,4-5,10,15H,3,6-9H2,1H3/t14-/m0/s1 |
| InChIKey |
WAAKVCMCCCPWDV-AWEZNQCLSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201502700 |
| Molecular Weight |
234.295 g/mol |
| Optical Rotation |
[a]D22 = -81.0 (c = 1.0, CHCl3) |
| Quality |
159 |
| SMILES |
OCC[C@]1(C(CCC1)=O)C1=CC=CC(=C1)OC |
| SPLASH |
splash10-067j-9000000000-87e6def204b2ac7faecb |
| Sample Comments |
95% ee |
| Source of Spectrum |
QE-21-SM19-3g (DOI: 10.1002/chem.201502700) |
| Wiley ID |
1907242 |
