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1-((4-Methoxyphenyl)ethynyl)-2-((2-(p-tolylethynyl)benzyl)oxy)benzene
SpectraBase Compound ID 80UKnCGeEUV
InChI InChI=1S/C31H24O2/c1-24-11-13-25(14-12-24)15-19-27-7-3-4-9-29(27)23-33-31-10-6-5-8-28(31)20-16-26-17-21-30(32-2)22-18-26/h3-14,17-18,21-22H,23H2,1-2H3
InChIKey JLTIQBYAJYKRLQ-UHFFFAOYSA-N
Mol Weight 428.53 g/mol
Molecular Formula C31H24O2
Exact Mass 428.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7UcnGXNR8ru
Name 1-((4-Methoxyphenyl)ethynyl)-2-((2-(p-tolylethynyl)benzyl)oxy)benzene
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 428.177630011 u
Formula C31H24O2
InChI InChI=1S/C31H24O2/c1-24-11-13-25(14-12-24)15-19-27-7-3-4-9-29(27)23-33-31-10-6-5-8-28(31)20-16-26-17-21-30(32-2)22-18-26/h3-14,17-18,21-22H,23H2,1-2H3
InChIKey JLTIQBYAJYKRLQ-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202200984
Molecular Weight 428.531 g/mol
Quality 39
Reported Formula C31H24O2
SMILES COC1=CC=C(C=C1)C#CC1=C(C=CC=C1)OCC1=C(C=CC=C1)C#CC1=CC=C(C=C1)C
SPLASH splash10-052r-0792200000-12a3c1974902e1a108eb
Source of Spectrum K1-2022-SM42-1t (DOI: 10.1002/ejoc.202200984)
Wiley ID 1898853