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5,6-difluoro-4,7-bis(4-methoxyphenyl)-2,1,3-benzothiadiazole
SpectraBase Compound ID 9HjhN7DlD1r
InChI InChI=1S/C20H14F2N2O2S/c1-25-13-7-3-11(4-8-13)15-17(21)18(22)16(20-19(15)23-27-24-20)12-5-9-14(26-2)10-6-12/h3-10H,1-2H3
InChIKey VYWQZVHOYLEGFM-UHFFFAOYSA-N
Mol Weight 384.4 g/mol
Molecular Formula C20H14F2N2O2S
Exact Mass 384.074405 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ICkbMx3EOw
Name 5,6-difluoro-4,7-bis(4-methoxyphenyl)-2,1,3-benzothiadiazole
Appearance Yellow solid
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Exact Mass 384.074405197 u
Formula C20H14F2N2O2S
InChI InChI=1S/C20H14F2N2O2S/c1-25-13-7-3-11(4-8-13)15-17(21)18(22)16(20-19(15)23-27-24-20)12-5-9-14(26-2)10-6-12/h3-10H,1-2H3
InChIKey VYWQZVHOYLEGFM-UHFFFAOYSA-N
Instrument Name Agilent 6890N-5975B
Ionization Type EI
Literature Reference DOI 10.1002/anie.201705119
Molecular Weight 384.401 g/mol
Quality 69
Reported Formula C14H20F2N2O2S
SMILES COC1=CC=C(C=C1)C=1C2=NSN=C2C(=C(C1F)F)C1=CC=C(OC)C=C1
SPLASH splash10-001i-0009000000-9b2c54086618e6dfb703
Source of Spectrum ACI-56-SM9-5aa (DOI: 10.1002/anie.201705119)
Thin-Layer Chromatography 0.33 (hexane/dichloromethane, 1:1)
Wiley ID 1896158