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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 I3I2ozTgCxH
Name 4-Tolyl trifluoromethanesulfonate
Appearance Colourless oil
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
Instrument Name Hewlett-Packard 5971-Agilent Technologies MSD1100
Ionization Type EI
Literature Reference DOI 10.1002/cssc.202100623
Molecular Weight 240.196 g/mol
SMILES c1cc(OS(C(F)(F)F)(=O)=O)ccc1C
SPLASH splash10-05r3-9520000000-679e36c0c656d2b0d37f
Source of Spectrum CSC-14-SM29-11c
Wiley ID 1865371