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2-[4-(p-Tolylethynyl)phenylsulfonyl]phenyl trifluoromethanesulfonate
SpectraBase Compound ID L1fB5wcFJvl
InChI InChI=1S/C22H15F3O5S2/c1-16-6-8-17(9-7-16)10-11-18-12-14-19(15-13-18)31(26,27)21-5-3-2-4-20(21)30-32(28,29)22(23,24)25/h2-9,12-15H,1H3
InChIKey QXCPYAVYLBFNDU-UHFFFAOYSA-N
Mol Weight 480.47 g/mol
Molecular Formula C22H15F3O5S2
Exact Mass 480.0313 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5LLAuXmEUrk
Name 2-[4-(p-Tolylethynyl)phenylsulfonyl]phenyl trifluoromethanesulfonate
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Formula C22H15F3O5S2
InChI InChI=1S/C22H15F3O5S2/c1-16-6-8-17(9-7-16)10-11-18-12-14-19(15-13-18)31(26,27)21-5-3-2-4-20(21)30-32(28,29)22(23,24)25/h2-9,12-15H,1H3
InChIKey QXCPYAVYLBFNDU-UHFFFAOYSA-N
Molecular Weight 480.472 g/mol
SMILES c1(c(cccc1)S(c1ccc(cc1)C#Cc1ccc(cc1)C)(=O)=O)OS(C(F)(F)F)(=O)=O
SPLASH splash10-001i-0140900000-66f18268f5d6bfbdcd53
Source of Spectrum CCC-4-361-9a
Synonyms 2-((4-(p-tolylethynyl)phenyl)sulfonyl)phenyl trifluoromethanesulfonate
Wiley ID 1788866