| SpectraBase Spectrum ID |
IFuUh10BWUR |
| Name |
(1S,2R)-2-(2-oxoethyl)cyclohexyl 4-fluorobenzoate |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
264.116172567 u |
| Formula |
C15H17FO3 |
| InChI |
InChI=1S/C15H17FO3/c16-13-7-5-12(6-8-13)15(18)19-14-4-2-1-3-11(14)9-10-17/h5-8,10-11,14H,1-4,9H2/t11-,14+/m1/s1 |
| InChIKey |
PQKXMMCVLQFUEP-RISCZKNCSA-N |
| Instrument Name |
Agilent 7890A-5975 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201801434 |
| Molecular Weight |
264.296 g/mol |
| Optical Rotation |
[a]D20 = +30.9 (c = 1.0, CH2Cl2) |
| Quality |
69 |
| Reported Formula |
C15H17O3F |
| SMILES |
[C@]1(CCCC[C@@]1(CC=O)[H])(OC(C1=CC=C(C=C1)F)=O)[H] |
| SPLASH |
splash10-00di-7900000000-0ad0bfceed52eac2cfa5 |
| Sample Comments |
91% ee |
| Source of Spectrum |
QE-24-SM11-4b (DOI: 10.1002/chem.201801434) |
| Wiley ID |
1900237 |
