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3-bromo-4-chlorophenyl fluorosulfate
SpectraBase Compound ID IwZLfgF9HwK
InChI InChI=1S/C6H3BrClFO3S/c7-5-3-4(1-2-6(5)8)12-13(9,10)11/h1-3H
InChIKey CNRRSSFSXNYNAZ-UHFFFAOYSA-N
Mol Weight 289.5 g/mol
Molecular Formula C6H3BrClFO3S
Exact Mass 287.865884 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JJRgOXFLKbt
Name 3-bromo-4-chlorophenyl fluorosulfate
Appearance Colorless liquid
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Formula C6H3BrClFO3S
InChI InChI=1S/C6H3BrClFO3S/c7-5-3-4(1-2-6(5)8)12-13(9,10)11/h1-3H
InChIKey CNRRSSFSXNYNAZ-UHFFFAOYSA-N
Instrument Name Agilent Technologies 5975-7820A
Ionization Type EI
Literature Reference DOI 10.1002/anie.201911465
Molecular Weight 289.502 g/mol
Reported Formula C6H3(79)Br(35)ClFO3(32)S
SMILES c1c(c(cc(c1)OS(F)(=O)=O)Br)Cl
SPLASH splash10-0bvi-4690000000-63b26529f8397f3cdf88
Source of Spectrum ACI-59-SM9-9-4
Thin-Layer Chromatography Rf = 0.63 (Pentane)
Wiley ID 1856908