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3,5-Bis([1,1'-biphenyl]-4-ylethynyl)-2,6-diphenylpyridine
SpectraBase Compound ID Gt7iszDpmxV
InChI InChI=1S/C45H29N/c1-5-13-36(14-6-1)38-27-21-34(22-28-38)25-31-42-33-43(32-26-35-23-29-39(30-24-35)37-15-7-2-8-16-37)45(41-19-11-4-12-20-41)46-44(42)40-17-9-3-10-18-40/h1-24,27-30,33H
InChIKey VWWQPMQLWICUBG-UHFFFAOYSA-N
Mol Weight 583.7 g/mol
Molecular Formula C45H29N
Exact Mass 583.23 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dv50ETkriOX
Name 3,5-Bis([1,1'-biphenyl]-4-ylethynyl)-2,6-diphenylpyridine
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C45H29N
InChI InChI=1S/C45H29N/c1-5-13-36(14-6-1)38-27-21-34(22-28-38)25-31-42-33-43(32-26-35-23-29-39(30-24-35)37-15-7-2-8-16-37)45(41-19-11-4-12-20-41)46-44(42)40-17-9-3-10-18-40/h1-24,27-30,33H
InChIKey VWWQPMQLWICUBG-UHFFFAOYSA-N
Instrument Name Agilent 6890/5973 or Agilent 7890/5977
Ionization Type EI
Literature Reference DOI 10.1002/adsc.201900034
Molecular Weight 583.734 g/mol
Reported Formula C45H29N
SMILES c1(c(cc(c(n1)-c1ccccc1)C#Cc1ccc(cc1)-c1ccccc1)C#Cc1ccc(cc1)-c1ccccc1)-c1ccccc1
SPLASH splash10-0006-9225000000-1c04fe0620914d5369b2
Source of Spectrum ASC-361-SM9-3g
Wiley ID 1837986