For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(1S*,4R*,7S*)-1,3,3-Trimethyl-5-trifluoromethanesulfonyloxy-7-phenylsulfonylbicyclo[2.2.2]oct-5-en-2-one
SpectraBase Compound ID 8bZjLJB4EKj
InChI InChI=1S/C18H19F3O6S2/c1-16(2)12-9-14(28(23,24)11-7-5-4-6-8-11)17(3,15(16)22)10-13(12)27-29(25,26)18(19,20)21/h4-8,10,12,14H,9H2,1-3H3/t12-,14-,17+/m0/s1
InChIKey VRKNGLUVTAYESR-RVSPLBMKSA-N
Mol Weight 452.46 g/mol
Molecular Formula C18H19F3O6S2
Exact Mass 452.057515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 9RY1rMwq0UP
Name (1S*,4R*,7S*)-1,3,3-Trimethyl-5-trifluoromethanesulfonyloxy-7-phenylsulfonylbicyclo[2.2.2]oct-5-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19F3O6S2
InChI InChI=1S/C18H19F3O6S2/c1-16(2)12-9-14(28(23,24)11-7-5-4-6-8-11)17(3,15(16)22)10-13(12)27-29(25,26)18(19,20)21/h4-8,10,12,14H,9H2,1-3H3/t12-,14-,17+/m0/s1
InChIKey VRKNGLUVTAYESR-RVSPLBMKSA-N
Molecular Weight 452.459 g/mol
SMILES [C@@]12([C@@](S(=O)(=O)c3ccccc3)(C[C@](C(=C1)OS(C(F)(F)F)(=O)=O)([H])C(C2=O)(C)C)[H])C
SPLASH splash10-0006-4923000000-422e504b18b8002b082d
Source of Spectrum F-69-455-15
Wiley ID 1594550