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2,2,2-trifluoroethyl 1-(2,2-dimethyl-5-oxo-4-bicyclo[2.2.2]octanyl)-2-(2-naphthyl)ethenesulfonate

View entire compound with spectra: 1 MS (GC)

2,2,2-trifluoroethyl 1-(2,2-dimethyl-5-oxo-4-bicyclo[2.2.2]octanyl)-2-(2-naphthyl)ethenesulfonate
SpectraBase Compound ID G6Obcw8D6yv
InChI InChI=1S/C23H23F3O4S/c1-21(2)18-9-10-22(21,19(27)13-18)20(31(28,29)30-14-23(24,25)26)12-15-7-8-16-5-3-4-6-17(16)11-15/h3-8,11-12,18H,9-10,13-14H2,1-2H3/t18-,22+/m0/s1
InChIKey ICODSWIWOWASSW-PGRDOPGGSA-N
Mol Weight 452.49 g/mol
Molecular Formula C23H23F3O4S
Exact Mass 452.126915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ACgflosz5AS
Name 2,2,2-trifluoroethyl 1-(2,2-dimethyl-5-oxo-4-bicyclo[2.2.2]octanyl)-2-(2-naphthyl)ethenesulfonate
Appearance White solid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 452.126914880 u
Formula C23H23F3O4S
InChI InChI=1S/C23H23F3O4S/c1-21(2)18-9-10-22(21,19(27)13-18)20(31(28,29)30-14-23(24,25)26)12-15-7-8-16-5-3-4-6-17(16)11-15/h3-8,11-12,18H,9-10,13-14H2,1-2H3/t18-,22+/m0/s1
InChIKey ICODSWIWOWASSW-PGRDOPGGSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201701766
Molecular Weight 452.488 g/mol
Quality 82
SMILES C1C[C@]2(CC(=O)[C@@]1(C2(C)C)C(S(OCC(F)(F)F)(=O)=O)=CC1=CC=C2C(=C1)C=CC=C2)[H]
SPLASH splash10-0k9l-0390100000-83c59f8a2e21ca65d615
Source of Spectrum K1-2018-1781-20 (DOI: 10.1002/ejoc.201701766)
Wiley ID 1894009