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4-Bromo-2-chlorophenyl trifluoromethanesulfonate
SpectraBase Compound ID 4ntWR65hJUh
InChI InChI=1S/C7H3BrClF3O3S/c8-4-1-2-6(5(9)3-4)15-16(13,14)7(10,11)12/h1-3H
InChIKey KAWKXMFOLPMAEB-UHFFFAOYSA-N
Mol Weight 339.51 g/mol
Molecular Formula C7H3BrClF3O3S
Exact Mass 337.86269 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 22ldm6V5klN
Name 4-Bromo-2-chlorophenyl trifluoromethanesulfonate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 337.862690317 u
Formula C7H3BrClF3O3S
InChI InChI=1S/C7H3BrClF3O3S/c8-4-1-2-6(5(9)3-4)15-16(13,14)7(10,11)12/h1-3H
InChIKey KAWKXMFOLPMAEB-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/anie.201609635
Molecular Weight 339.510 g/mol
Quality 5
SMILES C1(=CC=C(C(=C1)Cl)OS(C(F)(F)F)(=O)=O)Br
SPLASH splash10-0a6r-0492000000-cc2545f7071663983384
Source of Spectrum ACI-56-SM12-12-2 (DOI: 10.1002/anie.201609635)
Thin-Layer Chromatography 0.25 (Pentane/EtOAc, 5:1)
Wiley ID 1892863