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1,1'-ethyne-1,2-diylbis[7-tert-butyl-2-(methoxymethoxy)pyrene]
SpectraBase Compound ID BSEGurabHEo
InChI InChI=1S/C46H42O4/c1-45(2,3)33-19-27-9-11-31-23-39(49-25-47-7)35(37-15-13-29(21-33)41(27)43(31)37)17-18-36-38-16-14-30-22-34(46(4,5)6)20-28-10-12-32(44(38)42(28)30)24-40(36)50-26-48-8/h9-16,19-24H,25-26H2,1-8H3
InChIKey DVQRNGNNPBWKAS-UHFFFAOYSA-N
Mol Weight 658.8 g/mol
Molecular Formula C46H42O4
Exact Mass 658.30831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4wukQ6VyW1k
Name 1,1'-ethyne-1,2-diylbis[7-tert-butyl-2-(methoxymethoxy)pyrene]
Appearance Yellow crystals
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Exact Mass 658.308309828 u
Formula C46H42O4
InChI InChI=1S/C46H42O4/c1-45(2,3)33-19-27-9-11-31-23-39(49-25-47-7)35(37-15-13-29(21-33)41(27)43(31)37)17-18-36-38-16-14-30-22-34(46(4,5)6)20-28-10-12-32(44(38)42(28)30)24-40(36)50-26-48-8/h9-16,19-24H,25-26H2,1-8H3
InChIKey DVQRNGNNPBWKAS-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201500826
Molecular Weight 658.838 g/mol
Quality 76
Reported Formula C46H42O4
SMILES C1=CC2=C3C=4C1=CC(=CC4C=CC3=CC(=C2C#CC1=C2C3=C(C=C1OCOC)C=CC1=C3C(C=C2)=CC(=C1)C(C)(C)C)OCOC)C(C)(C)C
SPLASH splash10-0a59-2010098000-e0dba91a85f760484bc4
Source of Spectrum QE-21-SM5-9 (DOI: 10.1002/chem.201500826)
Wiley ID 1909112