| SpectraBase Spectrum ID |
2I1sHUpEC67 |
| Name |
(1S*,4R*,7R*)-1,3,3-Trimethyl-5-trifluoromethanesulfonyloxy-7-cyanobicyclo[2.2.2]oct-5-en-2-one |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H14F3NO4S |
| InChI |
InChI=1S/C13H14F3NO4S/c1-11(2)8-4-7(6-17)12(3,10(11)18)5-9(8)21-22(19,20)13(14,15)16/h5,7-8H,4H2,1-3H3/t7-,8-,12+/m0/s1 |
| InChIKey |
FIPUGEONXRBZAH-YVZVNANGSA-N |
| Molecular Weight |
337.313 g/mol |
| SMILES |
C(S(OC1=C[C@]2(C)[C@@](C[C@@]1(C(C2=O)(C)C)[H])(C#N)[H])(=O)=O)(F)(F)F |
| SPLASH |
splash10-06di-9200000000-242888abf825563e369d |
| Source of Spectrum |
F-69-456-16 |
| Synonyms |
(1R,4S,8R)-8-cyano-4,6,6-trimethyl-5-oxobicyclo[2.2.2]oct-2-en-2-yl trifluoromethanesulfonate |
| Wiley ID |
1594548 |
![(1S*,4R*,7R*)-1,3,3-Trimethyl-5-trifluoromethanesulfonyloxy-7-cyanobicyclo[2.2.2]oct-5-en-2-one](/api/spectrum/2I1sHUpEC67/structure.png?h=300&w=458 "(1S*,4R*,7R*)-1,3,3-Trimethyl-5-trifluoromethanesulfonyloxy-7-cyanobicyclo[2.2.2]oct-5-en-2-one")
