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4-[4-(tert-Butyl)-phenyl]-3-(phenylethynyl)quinoline
SpectraBase Compound ID H21JlZtu8G4
InChI InChI=1S/C27H23N/c1-27(2,3)23-17-15-21(16-18-23)26-22(14-13-20-9-5-4-6-10-20)19-28-25-12-8-7-11-24(25)26/h4-12,15-19H,1-3H3
InChIKey BYGPFKCTOKHONT-UHFFFAOYSA-N
Mol Weight 361.49 g/mol
Molecular Formula C27H23N
Exact Mass 361.18305 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 68L19lBuFLG
Name 4-[4-(tert-Butyl)-phenyl]-3-(phenylethynyl)quinoline
Appearance Yellow solid
Carrier Gas Helium
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Exact Mass 361.183049745 u
Formula C27H23N
InChI InChI=1S/C27H23N/c1-27(2,3)23-17-15-21(16-18-23)26-22(14-13-20-9-5-4-6-10-20)19-28-25-12-8-7-11-24(25)26/h4-12,15-19H,1-3H3
InChIKey BYGPFKCTOKHONT-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95-XP
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201900913
Molecular Weight 361.488 g/mol
Quality 348
Reported Formula C27H23N
SMILES C1(=CC=C(C=C1)C(C)(C)C)C1=C(C=NC2=C1C=CC=C2)C#CC1=CC=CC=C1
SPLASH splash10-0pb9-3009000000-0dbb460a5d000962e11e
Source of Spectrum K1-2019-6195-13b (DOI: 10.1002/ejoc.201900913)
Wiley ID 1892157