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3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-(4'-bromophenyl)decane
SpectraBase Compound ID 3C9mP1GkIs6
InChI InChI=1S/C16H13BrF13/c1-2-16(28,29,30)15(26,27)14(24,25)13(22,23)12(20,21)11(18,19)8-7-9-3-5-10(17)6-4-9/h3-6H,2,7-8H2,1H3
InChIKey VOMLGWXTRSMFEW-UHFFFAOYSA-N
Mol Weight 532.16 g/mol
Molecular Formula C16H13BrF13
Exact Mass 530.999305 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6NWwUI8YuPp
Name 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-(4'-bromophenyl)decane
Comments Note: The molecular formula of the structure shown is C16H13BrF13 - which differs from the formula reported for the mass spectrum (C14H8BrF13)
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Formula C14H8BrF13
InChI InChI=1S/C16H13BrF13/c1-2-16(28,29,30)15(26,27)14(24,25)13(22,23)12(20,21)11(18,19)8-7-9-3-5-10(17)6-4-9/h3-6H,2,7-8H2,1H3
InChIKey VOMLGWXTRSMFEW-UHFFFAOYSA-N
Molecular Weight 532.163 g/mol
SMILES C(CC(C(C(C(C([C](CC)(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)c1ccc(cc1)Br
SPLASH splash10-01i0-0900010000-443d526fce5eb0a9fad9
Source of Spectrum K1-2001-1125-2
Synonyms 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluoro-1-(4'-bromophenyl)decane
Wiley ID 846776