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2,3,5,6-Tetrafluorobenzenesulfonic acid-monohydrate
SpectraBase Compound ID ITxa5f8YdFx
InChI InChI=1S/C6H2F4O3S.O/c7-2-1-3(8)5(10)6(4(2)9)14(11,12)13;/h1H,(H,11,12,13);
InChIKey WQLCADIPNAKNLZ-UHFFFAOYSA-N
Mol Weight 246.13 g/mol
Molecular Formula C6H2F4O4S
Exact Mass 245.960992 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 532pfSYLb6O
Name 2,3,5,6-Tetrafluorobenzenesulfonic acid-monohydrate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H4F4O4S
InChI InChI=1S/C6H2F4O3S.O/c7-2-1-3(8)5(10)6(4(2)9)14(11,12)13;/h1H,(H,11,12,13);
InChIKey WQLCADIPNAKNLZ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cber.19741070415
Molecular Weight 248.148 g/mol
SMILES O.OS(c1c(c(cc(c1F)F)F)F)(=O)=O
SPLASH splash10-00kb-6930000000-ddbe08fad20b9336e3b4
Source of Spectrum K-107-1205-13a'
Synonyms 2,3,5,6-tetrafluorobenzenesulfonic acid hydrate
Wiley ID 1793643