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4-Methyl-2-(phenylethynyl)-1-((2-(phenylethynyl)benzyl)oxy)benzene
SpectraBase Compound ID 5jorgFWm9ou
InChI InChI=1S/C30H22O/c1-24-16-21-30(28(22-24)20-18-26-12-6-3-7-13-26)31-23-29-15-9-8-14-27(29)19-17-25-10-4-2-5-11-25/h2-16,21-22H,23H2,1H3
InChIKey WSYUUGOXQABIGF-UHFFFAOYSA-N
Mol Weight 398.51 g/mol
Molecular Formula C30H22O
Exact Mass 398.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IyUuaTRGrND
Name 4-Methyl-2-(phenylethynyl)-1-((2-(phenylethynyl)benzyl)oxy)benzene
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 398.167065327 u
Formula C30H22O
InChI InChI=1S/C30H22O/c1-24-16-21-30(28(22-24)20-18-26-12-6-3-7-13-26)31-23-29-15-9-8-14-27(29)19-17-25-10-4-2-5-11-25/h2-16,21-22H,23H2,1H3
InChIKey WSYUUGOXQABIGF-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202200984
Molecular Weight 398.505 g/mol
Quality 100
Reported Formula C30H22O
SMILES CC1=CC(=C(C=C1)OCC1=C(C=CC=C1)C#CC1=CC=CC=C1)C#CC1=CC=CC=C1
SPLASH splash10-0006-0902000000-9a9c2dfa13e0b51f47a4
Source of Spectrum K1-2022-SM44-1y (DOI: 10.1002/ejoc.202200984)
Wiley ID 1898857