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2-[4-(Hept-1-ynyl)phenylsulfonyl]phenyl trifluoromethanesulfonate
SpectraBase Compound ID 7KofKPAgwwW
InChI InChI=1S/C20H19F3O5S2/c1-2-3-4-5-6-9-16-12-14-17(15-13-16)29(24,25)19-11-8-7-10-18(19)28-30(26,27)20(21,22)23/h7-8,10-15H,2-5H2,1H3
InChIKey ZZHCUPVTEXQAGI-UHFFFAOYSA-N
Mol Weight 460.48 g/mol
Molecular Formula C20H19F3O5S2
Exact Mass 460.062601 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LnVpRmIbiYs
Name 2-[4-(Hept-1-ynyl)phenylsulfonyl]phenyl trifluoromethanesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19F3O5S2
InChI InChI=1S/C20H19F3O5S2/c1-2-3-4-5-6-9-16-12-14-17(15-13-16)29(24,25)19-11-8-7-10-18(19)28-30(26,27)20(21,22)23/h7-8,10-15H,2-5H2,1H3
InChIKey ZZHCUPVTEXQAGI-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cctc.201100257
Molecular Weight 460.482 g/mol
SMILES c1(c(cccc1)S(c1ccc(cc1)C#CCCCCC)(=O)=O)OS(C(F)(F)F)(=O)=O
SPLASH splash10-003r-0750900000-bca07db48522d7459c99
Source of Spectrum CCC-4-356/SM12-9c
Synonyms 2-((4-(hept-1-yn-1-yl)phenyl)sulfonyl)phenyl trifluoromethanesulfonate
Wiley ID 1788890