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4-[2-(4-tert-Butylphenyl)ethynyl]-1-bromo-2-fluorobenzene
SpectraBase Compound ID 55h2Lck7JyN
InChI InChI=1S/C18H16BrF/c1-18(2,3)15-9-6-13(7-10-15)4-5-14-8-11-16(19)17(20)12-14/h6-12H,1-3H3
InChIKey SCVLNRRYAGCIBW-UHFFFAOYSA-N
Mol Weight 331.23 g/mol
Molecular Formula C18H16BrF
Exact Mass 330.041942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JjXOANX4aGa
Name 4-[2-(4-tert-Butylphenyl)ethynyl]-1-bromo-2-fluorobenzene
Alternate Name(s) 1-Bromo-4-[2-(4-tert-butylphenyl)ethynyl]-2-fluorobenzene 1-Bromanyl-4-[2-(4-tert-butylphenyl)ethynyl]-2-fluoranyl-benzene
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Formula C18H16BrF
InChI InChI=1S/C18H16BrF/c1-18(2,3)15-9-6-13(7-10-15)4-5-14-8-11-16(19)17(20)12-14/h6-12H,1-3H3
InChIKey SCVLNRRYAGCIBW-UHFFFAOYSA-N
Molecular Weight 331.228 g/mol
SMILES C(#Cc1ccc(C(C)(C)C)cc1)c1cc(F)c(cc1)Br
SPLASH splash10-014i-0129000000-f47826f988ff396a8a87
Source of Spectrum U1-2012-610-3e
Wiley ID 1705513