| SpectraBase Spectrum ID |
5QCKMsgA6bM |
| Name |
(1S*,4R*,7R*)-1,3,3-Trimethyl-5-trifluoromethanesulfonyloxy-7-phenylbicyclo[2.2.2]oct-5-en-2-one |
| Alternate Name(s) |
(1R,4S,8R)-4,6,6-trimethyl-5-oxo-8-phenylbicyclo[2.2.2]oct-2-en-2-yl trifluoromethanesulfonate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H19F3O4S |
| InChI |
InChI=1S/C18H19F3O4S/c1-16(2)13-9-12(11-7-5-4-6-8-11)17(3,15(16)22)10-14(13)25-26(23,24)18(19,20)21/h4-8,10,12-13H,9H2,1-3H3/t12-,13+,17+/m1/s1 |
| InChIKey |
MWXPWYRGBIBODM-IGCXYCKISA-N |
| Molecular Weight |
388.401 g/mol |
| SMILES |
C(S(OC1=C[C@@]2(C)[C@](C[C@@]1(C(C2=O)(C)C)[H])(c1ccccc1)[H])(=O)=O)(F)(F)F |
| SPLASH |
splash10-052r-2922000000-2ffd18d6ea951f381647 |
| Source of Spectrum |
F-69-456-15 |
| Wiley ID |
1594547 |
![(1S*,4R*,7R*)-1,3,3-Trimethyl-5-trifluoromethanesulfonyloxy-7-phenylbicyclo[2.2.2]oct-5-en-2-one](/api/spectrum/5QCKMsgA6bM/structure.png?h=300&w=458 "(1S*,4R*,7R*)-1,3,3-Trimethyl-5-trifluoromethanesulfonyloxy-7-phenylbicyclo[2.2.2]oct-5-en-2-one")
