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3-Bromo-2-{[4-(tert-butyl)phenyl]ethynyl}quinoline
SpectraBase Compound ID LX98LgRKWAl
InChI InChI=1S/C21H18BrN/c1-21(2,3)17-11-8-15(9-12-17)10-13-20-18(22)14-16-6-4-5-7-19(16)23-20/h4-9,11-12,14H,1-3H3
InChIKey ZSRFQYXLVXJSJR-UHFFFAOYSA-N
Mol Weight 364.29 g/mol
Molecular Formula C21H18BrN
Exact Mass 363.062263 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BH6HFHKw2Za
Name 3-Bromo-2-{[4-(tert-butyl)phenyl]ethynyl}quinoline
Appearance Yellow solid
Carrier Gas Helium
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Exact Mass 363.062262584 u
Formula C21H18BrN
InChI InChI=1S/C21H18BrN/c1-21(2,3)17-11-8-15(9-12-17)10-13-20-18(22)14-16-6-4-5-7-19(16)23-20/h4-9,11-12,14H,1-3H3
InChIKey ZSRFQYXLVXJSJR-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95-XP
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201900913
Molecular Weight 364.286 g/mol
Quality 296
Reported Formula C21H18(79)BrN
SMILES C=1(Br)C(=NC2=C(C1)C=CC=C2)C#CC1=CC=C(C=C1)C(C)(C)C
SPLASH splash10-0udj-2219000000-d006e600b794c93c6936
Source of Spectrum K1-2019-6191-5b (DOI: 10.1002/ejoc.201900913)
Wiley ID 1892200