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[2,4-Bis(p-tolylethynyl)phenyl]phenylmethanone
SpectraBase Compound ID G83UVOFnpXJ
InChI InChI=1S/C31H22O/c1-23-8-12-25(13-9-23)16-17-27-19-21-30(31(32)28-6-4-3-5-7-28)29(22-27)20-18-26-14-10-24(2)11-15-26/h3-15,19,21-22H,1-2H3
InChIKey FCLVILVTMLKFOX-UHFFFAOYSA-N
Mol Weight 410.52 g/mol
Molecular Formula C31H22O
Exact Mass 410.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2g1to1z9Cu7
Name [2,4-Bis(p-tolylethynyl)phenyl]phenylmethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H22O
InChI InChI=1S/C31H22O/c1-23-8-12-25(13-9-23)16-17-27-19-21-30(31(32)28-6-4-3-5-7-28)29(22-27)20-18-26-14-10-24(2)11-15-26/h3-15,19,21-22H,1-2H3
InChIKey FCLVILVTMLKFOX-UHFFFAOYSA-N
Molecular Weight 410.516 g/mol
SMILES C(c1c(C(=O)c2ccccc2)ccc(C#Cc2ccc(cc2)C)c1)#Cc1ccc(cc1)C
SPLASH splash10-03e9-0902600000-ef89a344b95025732bc5
Source of Spectrum F4-44-231-13c
Wiley ID 1706758