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3-[(PERFLUORO-2-METHYLPENTAN-2-YL)METHYL]-BROMOBENZENE
SpectraBase Compound ID 6qgw980XjUU
InChI InChI=1S/C13H6BrF13/c14-7-3-1-2-6(4-7)5-8(11(19,20)21,12(22,23)24)9(15,16)10(17,18)13(25,26)27/h1-4H,5H2
InChIKey UMIYITKJHWFCTK-UHFFFAOYSA-N
Mol Weight 489.07 g/mol
Molecular Formula C13H6BrF13
Exact Mass 487.944529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2iI0v4au0W
Name 1-Bromanyl-3-[3,3,4,4,5,5,5-heptakis(fluoranyl)-2,2-bis(trifluoromethyl)pentyl]benzene
Alternate Name(s) 1-Bromo-3-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]benzene
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Formula C13H6BrF13
InChI InChI=1S/C13H6BrF13/c14-7-3-1-2-6(4-7)5-8(11(19,20)21,12(22,23)24)9(15,16)10(17,18)13(25,26)27/h1-4H,5H2
InChIKey UMIYITKJHWFCTK-UHFFFAOYSA-N
Molecular Weight 489.074 g/mol
SMILES C(C(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)(C(F)(F)F)Cc1cc(Br)ccc1
SPLASH splash10-01b9-2900100000-e7983e59b1d0c42fee92
Source of Spectrum KC-0-286-4
Wiley ID 827359