| SpectraBase Spectrum ID |
JsYIwLDupyd |
| Name |
(1S*,4R*,7S*)-1,3,3-Trimethyl-5-trifluoromethanesulfonyloxy-7-cyanobicyclo[2.2.2]oct-5-en-2-one |
| Alternate Name(s) |
(1R,4S,8S)-8-cyano-4,6,6-trimethyl-5-oxobicyclo[2.2.2]oct-2-en-2-yl trifluoromethanesulfonate |
| Copyright |
Copyright © 2020-2024 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+/m1/s1 |
| InChIKey |
FIPUGEONXRBZAH-LWINAJNOSA-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 |
splash10-0600-9410000000-721ffcdb96d6e94de12e |
| Source of Spectrum |
F-69-456-15 |
| Wiley ID |
1594549 |
![(1S*,4R*,7S*)-1,3,3-Trimethyl-5-trifluoromethanesulfonyloxy-7-cyanobicyclo[2.2.2]oct-5-en-2-one](/api/spectrum/JsYIwLDupyd/structure.png?h=300&w=458 "(1S*,4R*,7S*)-1,3,3-Trimethyl-5-trifluoromethanesulfonyloxy-7-cyanobicyclo[2.2.2]oct-5-en-2-one")
