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7-tridecafluorohexyl-2-iodo-benzo[1,2b;4,3b']dithiophene
SpectraBase Compound ID DJg7zuU63xX
InChI InChI=1S/C16H4F13IS2/c17-11(18,9-3-5-6-4-10(30)32-8(6)2-1-7(5)31-9)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29/h1-4H
InChIKey UZPPUPPZPMYSAS-UHFFFAOYSA-N
Mol Weight 634.21 g/mol
Molecular Formula C16H4F13IS2
Exact Mass 633.859154 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I9O6FlIAK
Name 7-tridecafluorohexyl-2-iodo-benzo[1,2b;4,3b']dithiophene
Appearance White solid
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Exact Mass 633.859153596 u
Formula C16H4F13IS2
InChI InChI=1S/C16H4F13IS2/c17-11(18,9-3-5-6-4-10(30)32-8(6)2-1-7(5)31-9)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29/h1-4H
InChIKey UZPPUPPZPMYSAS-UHFFFAOYSA-N
Instrument Name FISONS-Vg Autospec-M246
Ionization Type EI
Literature Reference DOI 10.1002/chem.202300339
Molecular Weight 634.212 g/mol
Reported Formula C16H4F13IS2
SMILES C1=C2C(=C3C(=C1)SC(=C3)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C=C(S2)I
SPLASH splash10-015i-0037019000-eaec8f2525f600e25935
Source of Spectrum QE-29-SM10-2b (DOI: 10.1002/chem.202300339)
Wiley ID 1910241