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1-(bromochlorofluoromethyl)-4-(4-fluorophenylsulfonyl)benzene
SpectraBase Compound ID 7FIoAqtFJEr
InChI InChI=1S/C13H8BrClF2O2S/c14-13(15,17)9-1-5-11(6-2-9)20(18,19)12-7-3-10(16)4-8-12/h1-8H
InChIKey IRSQPMKNUDZUQD-UHFFFAOYSA-N
Mol Weight 381.62 g/mol
Molecular Formula C13H8BrClF2O2S
Exact Mass 379.908498 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4tXbQe39qpN
Name 1-(bromochlorofluoromethyl)-4-(4-fluorophenylsulfonyl)benzene
Appearance White solid
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Formula C13H8BrClF2O2S
InChI InChI=1S/C13H8BrClF2O2S/c14-13(15,17)9-1-5-11(6-2-9)20(18,19)12-7-3-10(16)4-8-12/h1-8H
InChIKey IRSQPMKNUDZUQD-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 381.619 g/mol
Reported Formula C13H9BrClF2O2S
SMILES c1cc(ccc1S(c1ccc(cc1)F)(=O)=O)C(Br)(F)Cl
SPLASH splash10-0f6x-0904000000-6d44d5bb94bb3404f523
Source of Spectrum JP2015168641A
Wiley ID 1852654