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3-((2-((2-(Phenylethynyl)phenoxy)methyl)phenyl)ethynyl)quinoline
SpectraBase Compound ID 6I1JZ6sxaIH
InChI InChI=1S/C32H21NO/c1-2-10-25(11-3-1)18-21-28-13-7-9-17-32(28)34-24-30-15-5-4-12-27(30)20-19-26-22-29-14-6-8-16-31(29)33-23-26/h1-17,22-23H,24H2
InChIKey MDFXQTVHFVUHIC-UHFFFAOYSA-N
Mol Weight 435.5 g/mol
Molecular Formula C32H21NO
Exact Mass 435.162314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LmXyT8DXFCM
Name 3-((2-((2-(Phenylethynyl)phenoxy)methyl)phenyl)ethynyl)quinoline
Appearance Brown solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 435.162314299 u
Formula C32H21NO
InChI InChI=1S/C32H21NO/c1-2-10-25(11-3-1)18-21-28-13-7-9-17-32(28)34-24-30-15-5-4-12-27(30)20-19-26-22-29-14-6-8-16-31(29)33-23-26/h1-17,22-23H,24H2
InChIKey MDFXQTVHFVUHIC-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202200984
Molecular Weight 435.526 g/mol
Quality 97
Reported Formula C32H21NO
SMILES C1(=CC=CC=C1)C#CC1=C(C=CC=C1)OCC1=C(C=CC=C1)C#CC=1C=NC2=C(C1)C=CC=C2
SPLASH splash10-0a4i-3491100000-14e08da5f727e016aa09
Source of Spectrum K1-2022-SM41-1r (DOI: 10.1002/ejoc.202200984)
Wiley ID 1898851