| SpectraBase Spectrum ID |
4OAzj3mDo88 |
| Name |
(1S,2R)-2-Hydroxycyclohexyl 4-bromobenzoate |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H15BrO3 |
| InChI |
InChI=1S/C13H15BrO3/c14-10-7-5-9(6-8-10)13(16)17-12-4-2-1-3-11(12)15/h5-8,11-12,15H,1-4H2/t11-,12+/m1/s1 |
| InChIKey |
SAWZPUHPUFYFEJ-NEPJUHHUSA-N |
| Instrument Name |
Thermo Finnigan TSQ 700 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202114044 |
| Optical Rotation |
[a]D23 = +5.41 (c = 0.86, CHCl3) |
| Quality |
263 |
| SMILES |
O[C@]1([C@](CCCC1)(OC(C1=CC=C(C=C1)Br)=O)[H])[H] |
| SPLASH |
splash10-000j-7900000000-346183d3a2d12ae4b388 |
| Sample Comments |
92% ee |
| Source of Spectrum |
ACI-61-SM22-S27 (DOI: 10.1002/anie.202114044) |
| Thin-Layer Chromatography |
0.4 (n-pentane/EtOAc, 5:1) |
| Wiley ID |
1897708 |
