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4,7-Di(4-bromophenyl)-5,6-difluoro-2,1,3-benzothiadiazole
SpectraBase Compound ID J7XoANdDZZQ
InChI InChI=1S/C18H8Br2F2N2S/c19-11-5-1-9(2-6-11)13-15(21)16(22)14(18-17(13)23-25-24-18)10-3-7-12(20)8-4-10/h1-8H
InChIKey HYCLHUVHLHINQR-UHFFFAOYSA-N
Mol Weight 482.14 g/mol
Molecular Formula C18H8Br2F2N2S
Exact Mass 479.874302 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1DibVXxjjuY
Name 4,7-Di(4-bromophenyl)-5,6-difluoro-2,1,3-benzothiadiazole
Appearance Pale yellow solid
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Exact Mass 479.874301766 u
Formula C18H8Br2F2N2S
InChI InChI=1S/C18H8Br2F2N2S/c19-11-5-1-9(2-6-11)13-15(21)16(22)14(18-17(13)23-25-24-18)10-3-7-12(20)8-4-10/h1-8H
InChIKey HYCLHUVHLHINQR-UHFFFAOYSA-N
Instrument Name Agilent 6890N-5975B
Ionization Type EI
Literature Reference DOI 10.1002/anie.201705119
Molecular Weight 482.141 g/mol
Quality 35
Reported Formula C18H8Br2F2N2S
SMILES C1(Br)=CC=C(C=C1)C=1C2=NSN=C2C(=C(C1F)F)C1=CC=C(Br)C=C1
SPLASH splash10-001i-0001900000-120485cb0205ee016d54
Source of Spectrum ACI-56-SM10-5ae (DOI: 10.1002/anie.201705119)
Thin-Layer Chromatography 0.46 (hexane/dichloromethane, 2:1)
Wiley ID 1896162