| SpectraBase Spectrum ID |
BWlu1sVmBZw |
| Name |
(1S,2R)-2-(2-oxoethyl)cyclohexyl benzoate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.125594437 u |
| Formula |
C15H18O3 |
| InChI |
InChI=1S/C15H18O3/c16-11-10-12-6-4-5-9-14(12)18-15(17)13-7-2-1-3-8-13/h1-3,7-8,11-12,14H,4-6,9-10H2/t12-,14+/m1/s1 |
| InChIKey |
GTYTYYBBNIUWGK-OCCSQVGLSA-N |
| Instrument Name |
Agilent 7890A-5975 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201801434 |
| Molecular Weight |
246.306 g/mol |
| Quality |
179 |
| Reported Formula |
C15H18O3 |
| SMILES |
[C@]1(CCCC[C@@]1(CC=O)[H])(OC(C1=CC=CC=C1)=O)[H] |
| SPLASH |
splash10-0a59-9700000000-4cd697395bb1fbac757b |
| Sample Comments |
92% ee |
| Source of Spectrum |
QE-24-SM11-4a (DOI: 10.1002/chem.201801434) |
| Wiley ID |
1900236 |
