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1-Bromanyl-4-[3,3,4,4,5,5,6,6,7,7,8,8,8-tridecakis(fluoranyl)octyl]benzene
SpectraBase Compound ID AcuoBsbxCdF
InChI InChI=1S/C14H8BrF13/c15-8-3-1-7(2-4-8)5-6-9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)28/h1-4H,5-6H2
InChIKey INTYDOLPAWEEIL-UHFFFAOYSA-N
Mol Weight 503.1 g/mol
Molecular Formula C14H8BrF13
Exact Mass 501.960179 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1jC63Amxayo
Name 1-Bromanyl-4-[3,3,4,4,5,5,6,6,7,7,8,8,8-tridecakis(fluoranyl)octyl]benzene
Comments Computed using HOSE algorithm
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Exact Mass 501.960179377 u
Formula C14H8BrF13
InChI InChI=1S/C14H8BrF13/c15-8-3-1-7(2-4-8)5-6-9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)28/h1-4H,5-6H2
InChIKey INTYDOLPAWEEIL-UHFFFAOYSA-N
Molecular Weight 503.101 g/mol
SMILES C(C(C(C(CCC1=CC=C(C=C1)Br)(F)F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F