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3-Bromo-2-[(4-fluorophenyl)ethynyl]quinoline
SpectraBase Compound ID CbbmA7kPYEL
InChI InChI=1S/C17H9BrFN/c18-15-11-13-3-1-2-4-16(13)20-17(15)10-7-12-5-8-14(19)9-6-12/h1-6,8-9,11H
InChIKey ZTWSLCYOZALPLS-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 1es3G40d6d6
Name 3-Bromo-2-[(4-fluorophenyl)ethynyl]quinoline
Appearance White solid
Carrier Gas Helium
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Exact Mass 324.990240457 u
Formula C17H9BrFN
InChI InChI=1S/C17H9BrFN/c18-15-11-13-3-1-2-4-16(13)20-17(15)10-7-12-5-8-14(19)9-6-12/h1-6,8-9,11H
InChIKey ZTWSLCYOZALPLS-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 398
Reported Formula C17H9(81)BrFN
SMILES C=1(Br)C(=NC2=C(C1)C=CC=C2)C#CC1=CC=C(C=C1)F
SPLASH splash10-004j-4349000000-fd8110ed383d676fa4a1
Source of Spectrum K1-2019-6191-5c (DOI: 10.1002/ejoc.201900913)
Wiley ID 1892201