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2-(4'-Ethylbiphenyl-4-ylsulfonyl)phenyl trifluoromethanesulfonate
SpectraBase Compound ID BRCPNpr6azL
InChI InChI=1S/C21H17F3O5S2/c1-2-15-7-9-16(10-8-15)17-11-13-18(14-12-17)30(25,26)20-6-4-3-5-19(20)29-31(27,28)21(22,23)24/h3-14H,2H2,1H3
InChIKey DTBRUNGTXJSAIS-UHFFFAOYSA-N
Mol Weight 470.48 g/mol
Molecular Formula C21H17F3O5S2
Exact Mass 470.04695 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5xecSAjw7r4
Name 2-(4'-Ethylbiphenyl-4-ylsulfonyl)phenyl trifluoromethanesulfonate
Alternate Name(s) 2-((4'-ethyl-[1,1'-biphenyl]-4-yl)sulfonyl)phenyl trifluoromethanesulfonate
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Formula C21H17F3O5S2
InChI InChI=1S/C21H17F3O5S2/c1-2-15-7-9-16(10-8-15)17-11-13-18(14-12-17)30(25,26)20-6-4-3-5-19(20)29-31(27,28)21(22,23)24/h3-14H,2H2,1H3
InChIKey DTBRUNGTXJSAIS-UHFFFAOYSA-N
Molecular Weight 470.477 g/mol
SMILES c1(c(cccc1)S(c1ccc(cc1)-c1ccc(cc1)CC)(=O)=O)OS(C(F)(F)F)(=O)=O
SPLASH splash10-00di-0450900000-1808d2a9fd8769650522
Source of Spectrum CCC-4-356/SM5-5b
Wiley ID 1788879