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2-(4'-tert-Butylbiphenyl-4-ylsulfonyl)phenyl trifluoromethanesulfonate
SpectraBase Compound ID HQuRxMNY8lD
InChI InChI=1S/C23H21F3O5S2/c1-22(2,3)18-12-8-16(9-13-18)17-10-14-19(15-11-17)32(27,28)21-7-5-4-6-20(21)31-33(29,30)23(24,25)26/h4-15H,1-3H3
InChIKey HYPMGXUPZWRFLY-UHFFFAOYSA-N
Mol Weight 498.53 g/mol
Molecular Formula C23H21F3O5S2
Exact Mass 498.078251 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cs01BA7rxW9
Name 2-(4'-tert-Butylbiphenyl-4-ylsulfonyl)phenyl trifluoromethanesulfonate
Alternate Name(s) 2-((4'-(tert-butyl)-[1,1'-biphenyl]-4-yl)sulfonyl)phenyl trifluoromethanesulfonate
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Formula C23H21F3O5S2
InChI InChI=1S/C23H21F3O5S2/c1-22(2,3)18-12-8-16(9-13-18)17-10-14-19(15-11-17)32(27,28)21-7-5-4-6-20(21)31-33(29,30)23(24,25)26/h4-15H,1-3H3
InChIKey HYPMGXUPZWRFLY-UHFFFAOYSA-N
Molecular Weight 498.531 g/mol
SMILES c1(c(cccc1)S(c1ccc(cc1)-c1ccc(cc1)C(C)(C)C)(=O)=O)OS(C(F)(F)F)(=O)=O
SPLASH splash10-001i-0020900000-dff9b409c775b5c286db
Source of Spectrum CCC-4-356/SM6-5c
Wiley ID 1788880