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4-Bromo-3-[(4-fluorophenyl)ethynyl]quinoline
SpectraBase Compound ID q9bvtGWwYe
InChI InChI=1S/C17H9BrFN/c18-17-13(8-5-12-6-9-14(19)10-7-12)11-20-16-4-2-1-3-15(16)17/h1-4,6-7,9-11H
InChIKey FOFVYNXMCKFKEJ-UHFFFAOYSA-N
Mol Weight 326.17 g/mol
Molecular Formula C17H9BrFN
Exact Mass 324.99024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2jI948jx9E
Name 4-Bromo-3-[(4-fluorophenyl)ethynyl]quinoline
Appearance Off-white solid
Carrier Gas Helium
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Exact Mass 324.990240457 u
Formula C17H9BrFN
InChI InChI=1S/C17H9BrFN/c18-17-13(8-5-12-6-9-14(19)10-7-12)11-20-16-4-2-1-3-15(16)17/h1-4,6-7,9-11H
InChIKey FOFVYNXMCKFKEJ-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95-XP
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201900913
Molecular Weight 326.168 g/mol
Quality 409
Reported Formula C17H9N79BrF
SMILES C1(=CC=C(C=C1)F)C#CC=1C=NC2=CC=CC=C2C1Br
SPLASH splash10-004i-0259000000-5e1225eaf94d86725400
Source of Spectrum K1-2019-6194-12b (DOI: 10.1002/ejoc.201900913)
Wiley ID 1892155