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4-[4-(tert-Butyl)phenyl]-3-[(4-fluorophenyl)ethynyl]quinoline
SpectraBase Compound ID 5KQYwZ4RWlT
InChI InChI=1S/C27H22FN/c1-27(2,3)22-14-12-20(13-15-22)26-21(11-8-19-9-16-23(28)17-10-19)18-29-25-7-5-4-6-24(25)26/h4-7,9-10,12-18H,1-3H3
InChIKey VCKXMZISCSORMI-UHFFFAOYSA-N
Mol Weight 379.48 g/mol
Molecular Formula C27H22FN
Exact Mass 379.173628 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IvuqkPPZmU7
Name 4-[4-(tert-Butyl)phenyl]-3-[(4-fluorophenyl)ethynyl]quinoline
Appearance White solid
Carrier Gas Helium
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Exact Mass 379.173627875 u
Formula C27H22FN
InChI InChI=1S/C27H22FN/c1-27(2,3)22-14-12-20(13-15-22)26-21(11-8-19-9-16-23(28)17-10-19)18-29-25-7-5-4-6-24(25)26/h4-7,9-10,12-18H,1-3H3
InChIKey VCKXMZISCSORMI-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95-XP
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201900913
Molecular Weight 379.478 g/mol
Quality 313
Reported Formula C27H22NF
SMILES C1(=CC=C(C=C1)C(C)(C)C)C1=C(C=NC2=C1C=CC=C2)C#CC1=CC=C(C=C1)F
SPLASH splash10-00di-0009000000-83e1d9a62e2bf78260a7
Source of Spectrum K1-2019-6195-13d (DOI: 10.1002/ejoc.201900913)
Wiley ID 1892159