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2-{[4-(tert-Butyl)phenyl]ethynyl}-3-phenylquinoline
SpectraBase Compound ID 6WExw8S2zNp
InChI InChI=1S/C27H23N/c1-27(2,3)23-16-13-20(14-17-23)15-18-26-24(21-9-5-4-6-10-21)19-22-11-7-8-12-25(22)28-26/h4-14,16-17,19H,1-3H3
InChIKey FOXZJCMCRJKTNS-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 ISUxvwnlDPh
Name 2-{[4-(tert-Butyl)phenyl]ethynyl}-3-phenylquinoline
Appearance Yellow oil
Carrier Gas Helium
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Exact Mass 361.183049745 u
Formula C27H23N
InChI InChI=1S/C27H23N/c1-27(2,3)23-16-13-20(14-17-23)15-18-26-24(21-9-5-4-6-10-21)19-22-11-7-8-12-25(22)28-26/h4-14,16-17,19H,1-3H3
InChIKey FOXZJCMCRJKTNS-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 469
Reported Formula C27H23N
SMILES C1(=CC=CC=C1)C=1C(=NC2=CC=CC=C2C1)C#CC1=CC=C(C=C1)C(C)(C)C
SPLASH splash10-03dj-0009000000-2ba2d0b3076d04dc7fac
Source of Spectrum K1-2019-6191-6c (DOI: 10.1002/ejoc.201900913)
Wiley ID 1892203