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4-Chloro-2-formylphenyl trifluoromethanesulfonate
SpectraBase Compound ID Lx7WlY4FYci
InChI InChI=1S/C8H4ClF3O4S/c9-6-1-2-7(5(3-6)4-13)16-17(14,15)8(10,11)12/h1-4H
InChIKey HQISUTYULMOVKQ-UHFFFAOYSA-N
Mol Weight 288.62 g/mol
Molecular Formula C8H4ClF3O4S
Exact Mass 287.947092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID In6n53X7zQq
Name 4-Chloro-2-formylphenyl trifluoromethanesulfonate
Appearance Colourless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 287.947091968 u
Formula C8H4ClF3O4S
InChI InChI=1S/C8H4ClF3O4S/c9-6-1-2-7(5(3-6)4-13)16-17(14,15)8(10,11)12/h1-4H
InChIKey HQISUTYULMOVKQ-UHFFFAOYSA-N
Instrument Name Agilent Technologies 7820A-5975 series MSD
Ionization Type EI
Literature Reference DOI 10.1002/anie.201808386
Molecular Weight 288.624 g/mol
Quality 557
SMILES C1=C(C(=CC(=C1)Cl)C=O)OS(C(F)(F)F)(=O)=O
SPLASH splash10-0adj-4950000000-505f68507f08cef3c10f
Source of Spectrum ACI-57-SM30-30-3 (DOI: 10.1002/anie.201808386)
Thin-Layer Chromatography 0.67 (10% ethyl acetate/hexane)
Wiley ID 1893424