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4,7-Di(4-chlorophenyl)-5,6-difluoro-2,1,3-benzothiadiazole
SpectraBase Compound ID JrytVH6PaHr
InChI InChI=1S/C18H8Cl2F2N2S/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 DZGUFZLZQKITIH-UHFFFAOYSA-N
Mol Weight 393.24 g/mol
Molecular Formula C18H8Cl2F2N2S
Exact Mass 391.975331 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Ldsd8foNN
Name 4,7-Di(4-chlorophenyl)-5,6-difluoro-2,1,3-benzothiadiazole
Appearance Pale yellow solid
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Exact Mass 391.975331166 u
Formula C18H8Cl2F2N2S
InChI InChI=1S/C18H8Cl2F2N2S/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 DZGUFZLZQKITIH-UHFFFAOYSA-N
Instrument Name Agilent 6890N-5975B
Ionization Type EI
Literature Reference DOI 10.1002/anie.201608667
Molecular Weight 393.239 g/mol
Quality 46
Reported Formula C18H8Cl2F2N2S
SMILES C1(Cl)=CC=C(C=C1)C=1C2=NSN=C2C(=C(C1F)F)C1=CC=C(Cl)C=C1
SPLASH splash10-0006-0009000000-2fd3bd2afdebd3fb489e
Source of Spectrum ACI-55-SM11-5ad (DOI: 10.1002/anie.201608667)
Thin-Layer Chromatography 0.73 (hexane/dichloromethane, 1:1)
Wiley ID 1899374