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2-[4-(Dec-1-ynyl)phenylsulfonyl]phenyl trifluoromethanesulfonate
SpectraBase Compound ID lpQs7WyNRG
InChI InChI=1S/C23H25F3O5S2/c1-2-3-4-5-6-7-8-9-12-19-15-17-20(18-16-19)32(27,28)22-14-11-10-13-21(22)31-33(29,30)23(24,25)26/h10-11,13-18H,2-8H2,1H3
InChIKey MWCFHTKVLZKDOJ-UHFFFAOYSA-N
Mol Weight 502.56 g/mol
Molecular Formula C23H25F3O5S2
Exact Mass 502.109551 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7DcFq95jfun
Name 2-[4-(Dec-1-ynyl)phenylsulfonyl]phenyl trifluoromethanesulfonate
Alternate Name(s) 2-((4-(dec-1-yn-1-yl)phenyl)sulfonyl)phenyl trifluoromethanesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25F3O5S2
InChI InChI=1S/C23H25F3O5S2/c1-2-3-4-5-6-7-8-9-12-19-15-17-20(18-16-19)32(27,28)22-14-11-10-13-21(22)31-33(29,30)23(24,25)26/h10-11,13-18H,2-8H2,1H3
InChIKey MWCFHTKVLZKDOJ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cctc.201100257
Molecular Weight 502.563 g/mol
SMILES c1(c(cccc1)S(c1ccc(cc1)C#CCCCCCCCC)(=O)=O)OS(C(F)(F)F)(=O)=O
SPLASH splash10-052f-7950410000-5548a5788a2c5099f3cd
Source of Spectrum CCC-4-356/SM12-9d
Wiley ID 1788891