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4,7-Di(4-fluorophenyl)-5,6-difluoro-2,1,3-benzothiadiazole
SpectraBase Compound ID 5vR5aFaUVk
InChI InChI=1S/C18H8F4N2S/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 YTMBNDXYTLMVCB-UHFFFAOYSA-N
Mol Weight 360.33 g/mol
Molecular Formula C18H8F4N2S
Exact Mass 360.034432 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9jeD8c6LsIU
Name 4,7-Di(4-fluorophenyl)-5,6-difluoro-2,1,3-benzothiadiazole
Appearance Beige solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.034432092 u
Formula C18H8F4N2S
InChI InChI=1S/C18H8F4N2S/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 YTMBNDXYTLMVCB-UHFFFAOYSA-N
Instrument Name Agilent 6890N-5975B
Ionization Type EI
Literature Reference DOI 10.1002/anie.201608667
Molecular Weight 360.330 g/mol
Reported Formula C18H8F4N2S
SMILES C1(=C(C=2C(C(=C1F)C1=CC=C(C=C1)F)=NSN2)C1=CC=C(C=C1)F)F
SPLASH splash10-03di-0009000000-800591ec3bbc04a6fa67
Source of Spectrum ACI-55-SM10-5af (DOI: 10.1002/anie.201608667)
Thin-Layer Chromatography 0.25 (hexane/dichloromethane, 4:1)
Wiley ID 1899376