| SpectraBase Spectrum ID |
4m52dGIQRI4 |
| Name |
(2S,3R)-2-(2,5-Dimethoxybenzyl)-2,3-dimethylcyclohexanone |
| Appearance |
Pale yellow solid |
| Carrier Gas |
Hydrogen |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H24O3 |
| GC Oven Program |
Oven temp 300oC |
| InChI |
InChI=1S/C17H24O3/c1-12-6-5-7-16(18)17(12,2)11-13-10-14(19-3)8-9-15(13)20-4/h8-10,12H,5-7,11H2,1-4H3/t12-,17+/m1/s1 |
| InChIKey |
NEOLIPZLYBXEFW-PXAZEXFGSA-N |
| Instrument Name |
Agilent HP6890- 5937 N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202105733 |
| Molecular Weight |
276.376 g/mol |
| Optical Rotation |
[a]D20 = +76 (436 nm), +35 (546 nm), +29 (579 nm), +27 (589 nm) (c = 0.65, CHCl3) |
| SMILES |
[C@@]1(C(CCC[C@]1(C)[H])=O)(Cc1c(ccc(c1)OC)OC)C |
| SPLASH |
splash10-0udi-2920000000-e24c208f987eae7599bb |
| Sample Comments |
96% ee |
| Source of Spectrum |
ACI-60-SM9-11 |
| Thin-Layer Chromatography |
Rf = 0.32 (c-Hex/EtOAc, 9:1) |
| Wiley ID |
1882558 |
