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3-(Perfluorobutyl)dibenzo[b,d]thiophene
SpectraBase Compound ID 8REbwKg5baM
InChI InChI=1S/C16H7F9S/c17-14(18,19)13(15(20,21)22,16(23,24)25)8-5-6-10-9-3-1-2-4-11(9)26-12(10)7-8/h1-7H
InChIKey HODDNCKCBHYQNW-UHFFFAOYSA-N
Mol Weight 402.28 g/mol
Molecular Formula C16H7F9S
Exact Mass 402.012475 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BAVWVglw1uD
Name 3-(Perfluorobutyl)dibenzo[b,d]thiophene
Alternate Name(s) 3-(1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl)dibenzo[b,d]thiophene
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Formula C16H7F9S
InChI InChI=1S/C16H7F9S/c17-14(18,19)13(15(20,21)22,16(23,24)25)8-5-6-10-9-3-1-2-4-11(9)26-12(10)7-8/h1-7H
InChIKey HODDNCKCBHYQNW-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.jfluchem.2014.02.008
Molecular Weight 402.278 g/mol
SMILES c1ccc2sc3c(ccc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)c3)c2c1
SPLASH splash10-001i-0190300000-2919510e93d0788d4fc1
Source of Spectrum JFC-161-154-13
Wiley ID 1746512