| SpectraBase Spectrum ID |
4MlaidB5rOm |
| Name |
[(5R,6S)-6-[(2,5-dimethoxyphenyl)methyl]-5,6-dimethyl-cyclohexen-1-yl] trifluoromethanesulfonate |
| Appearance |
Yellow viscous oil |
| Carrier Gas |
Hydrogen |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H23F3O5S |
| GC Oven Program |
Oven temp 300oC |
| InChI |
InChI=1S/C18H23F3O5S/c1-12-6-5-7-16(26-27(22,23)18(19,20)21)17(12,2)11-13-10-14(24-3)8-9-15(13)25-4/h7-10,12H,5-6,11H2,1-4H3/t12-,17+/m1/s1 |
| InChIKey |
GWKDRWPVMNWXBC-PXAZEXFGSA-N |
| Instrument Name |
Agilent HP6890- 5937 N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202105733 |
| Molecular Weight |
408.432 g/mol |
| Optical Rotation |
[a]D20 = + 44 (436 nm), +26 (546 nm), +23 (579 nm), +23 (589 nm) (c = 0.59, CHCl3) |
| SMILES |
[C@]1([C@@](CCC=C1OS(=O)(C(F)(F)F)=O)(C)[H])(Cc1cc(ccc1OC)OC)C |
| SPLASH |
splash10-0udi-1900100000-72ad8f6d13cb5b3b0d66 |
| Source of Spectrum |
ACI-60-SM10-14 |
| Thin-Layer Chromatography |
Rf = 0.29 (c-Hex/EtOAc, 20:1) |
| Wiley ID |
1882560 |
![[(5R,6S)-6-[(2,5-dimethoxyphenyl)methyl]-5,6-dimethyl-cyclohexen-1-yl] trifluoromethanesulfonate](/api/spectrum/4MlaidB5rOm/structure.png?h=300&w=458 "[(5R,6S)-6-[(2,5-dimethoxyphenyl)methyl]-5,6-dimethyl-cyclohexen-1-yl] trifluoromethanesulfonate")
