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9,10-Dihydro-12-(pentafluorophenyl)-9,10-(epithiomethano)anthracene
SpectraBase Compound ID Dw8J4DLMdwP
InChI InChI=1S/C21H11F5S/c22-15-14(16(23)18(25)19(26)17(15)24)21-13-9-5-1-3-7-11(9)20(27-21)12-8-4-2-6-10(12)13/h1-8,13,20-21H/t13-,20+,21-/m0/s1
InChIKey GMUCJIWFDJOYFI-DYXDTQHNSA-N
Mol Weight 390.37 g/mol
Molecular Formula C21H11F5S
Exact Mass 390.050162 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9KEYsInGy3N
Name 9,10-Dihydro-12-(pentafluorophenyl)-9,10-(epithiomethano)anthracene
Alternate Name(s) 16-(2,3,4,5,6-pentafluorophenyl)-15-thiatetracyclo[6.6.2.0(2,7).0(9,14)]hexadeca-2,4,6,9,11,13-hexaene
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Formula C21H11F5S
InChI InChI=1S/C21H11F5S/c22-15-14(16(23)18(25)19(26)17(15)24)21-13-9-5-1-3-7-11(9)20(27-21)12-8-4-2-6-10(12)13/h1-8,13,20-21H/t13-,20+,21-/m0/s1
InChIKey GMUCJIWFDJOYFI-DYXDTQHNSA-N
Molecular Weight 390.371 g/mol
SMILES c1([C@@]2([C@]3(c4ccccc4[C@@](S2)(c2ccccc32)[H])[H])[H])c(c(F)c(c(c1F)F)F)F
SPLASH splash10-004i-0900000000-c599d3dc589deb67ec74
Source of Spectrum K-126-1705-7
Wiley ID 1364753