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4-Tolyl trifluoromethanesulfonate
SpectraBase Compound ID 7fmI1cf0Ejz
InChI InChI=1S/C8H7F3O3S/c1-6-2-4-7(5-3-6)14-15(12,13)8(9,10)11/h2-5H,1H3
InChIKey XXSBXVHIYGQWDV-UHFFFAOYSA-N
Mol Weight 240.2 g/mol
Molecular Formula C8H7F3O3S
Exact Mass 240.0068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7RsKHMQrIjk
Name 4-Tolyl trifluoromethanesulfonate
Alternate Name(s) p-Tolyltrifluoromethanesulfonate (4-methylphenyl) trifluoromethanesulfonate p-Tolyl trifluoromethanesulfonate (4-methylphenyl) tris(fluoranyl)methanesulfonate Trifluoromethanesulfonic acid (4-methylphenyl) ester 4-Methylphenyl trifluoromethanesulfonate Trifluoromethanesulfonic acid p-tolyl ester
CAS Registry Number 29540-83-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7F3O3S
InChI InChI=1S/C8H7F3O3S/c1-6-2-4-7(5-3-6)14-15(12,13)8(9,10)11/h2-5H,1H3
InChIKey XXSBXVHIYGQWDV-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol300401c
Molecular Weight 240.196 g/mol
SMILES c1cc(OS(C(F)(F)F)(=O)=O)ccc1C
SPLASH splash10-056u-8960000000-93a04af8eefd39fc75ea
Source of Spectrum A1-14-1808/SM5-35
Wiley ID 1750125