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4,7-Bis(trihexylsilyl)-5,6-difluoro-2,1,3-benzothiadiazole
SpectraBase Compound ID Erdb98plwSA
InChI InChI=1S/C42H78F2N2SSi2/c1-7-13-19-25-31-48(32-26-20-14-8-2,33-27-21-15-9-3)41-37(43)38(44)42(40-39(41)45-47-46-40)49(34-28-22-16-10-4,35-29-23-17-11-5)36-30-24-18-12-6/h7-36H2,1-6H3
InChIKey GKIIDEQNAKIOHQ-UHFFFAOYSA-N
Mol Weight 737.3 g/mol
Molecular Formula C42H78F2N2SSi2
Exact Mass 736.539231 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2oUFYFwqAoA
Name 4,7-Bis(trihexylsilyl)-5,6-difluoro-2,1,3-benzothiadiazole
Appearance Colorless oil
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Exact Mass 736.539231090 u
Formula C42H78F2N2SSi2
InChI InChI=1S/C42H78F2N2SSi2/c1-7-13-19-25-31-48(32-26-20-14-8-2,33-27-21-15-9-3)41-37(43)38(44)42(40-39(41)45-47-46-40)49(34-28-22-16-10-4,35-29-23-17-11-5)36-30-24-18-12-6/h7-36H2,1-6H3
InChIKey GKIIDEQNAKIOHQ-UHFFFAOYSA-N
Instrument Name Agilent 6890N-5975B
Ionization Type EI
Literature Reference DOI 10.1002/anie.201705119
Molecular Weight 737.327 g/mol
Reported Formula C42H78F2N2SSi2
SMILES C=12C(=C(C(=C(C2=NSN1)[Si](CCCCCC)(CCCCCC)CCCCCC)F)F)[Si](CCCCCC)(CCCCCC)CCCCCC
SPLASH splash10-0uxr-0003189000-930c4501ec82028b32b0
Source of Spectrum ACI-56-SM4-3a'' (DOI: 10.1002/anie.201705119)
Thin-Layer Chromatography 0.83 (hexane)
Wiley ID 1896151