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3-[4-(tert-Butyl)phenyl]-4-(phenylethynyl)quinoline
SpectraBase Compound ID 9sTrET474fp
InChI InChI=1S/C27H23N/c1-27(2,3)22-16-14-21(15-17-22)25-19-28-26-12-8-7-11-24(26)23(25)18-13-20-9-5-4-6-10-20/h4-12,14-17,19H,1-3H3
InChIKey VQBGVFDZFINPOB-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 FbCc4QE8flq
Name 3-[4-(tert-Butyl)phenyl]-4-(phenylethynyl)quinoline
Appearance Yellow oil
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 361.183049745 u
Formula C27H23N
InChI InChI=1S/C27H23N/c1-27(2,3)22-16-14-21(15-17-22)25-19-28-26-12-8-7-11-24(26)23(25)18-13-20-9-5-4-6-10-20/h4-12,14-17,19H,1-3H3
InChIKey VQBGVFDZFINPOB-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 254
Reported Formula C27H23N
SMILES C1(=CC=C(C=C1)C(C)(C)C)C=1C=NC2=C(C1C#CC1=CC=CC=C1)C=CC=C2
SPLASH splash10-0zfr-0009000000-fb66c106060a45eb7c6e
Source of Spectrum K1-2019-6193-10b (DOI: 10.1002/ejoc.201900913)
Wiley ID 1892147