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(-)-1,1'-Ethyne-1,2-diylbis(2-{[(1R)-1-methyl-3-(4-methylphenyl)prop-2-yn-1-yl]oxy}benzene)
SpectraBase Compound ID DXEoVeTZpYt
InChI InChI=1S/C36H30O2/c1-27-13-19-31(20-14-27)23-17-29(3)37-35-11-7-5-9-33(35)25-26-34-10-6-8-12-36(34)38-30(4)18-24-32-21-15-28(2)16-22-32/h5-16,19-22,29-30H,1-4H3/t29-,30-/m1/s1
InChIKey OTRAJIGWVUDPOQ-LOYHVIPDSA-N
Mol Weight 494.6 g/mol
Molecular Formula C36H30O2
Exact Mass 494.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K3DDTzjw8eF
Name (-)-1,1'-Ethyne-1,2-diylbis(2-{[(1R)-1-methyl-3-(4-methylphenyl)prop-2-yn-1-yl]oxy}benzene)
Alternate Name(s) 1,2-bis(2-(((R)-4-(p-tolyl)but-3-yn-2-yl)oxy)phenyl)ethyne
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H30O2
InChI InChI=1S/C36H30O2/c1-27-13-19-31(20-14-27)23-17-29(3)37-35-11-7-5-9-33(35)25-26-34-10-6-8-12-36(34)38-30(4)18-24-32-21-15-28(2)16-22-32/h5-16,19-22,29-30H,1-4H3/t29-,30-/m1/s1
InChIKey OTRAJIGWVUDPOQ-LOYHVIPDSA-N
Literature Reference DOI 10.1002/anie.201108307
Molecular Weight 494.634 g/mol
SMILES c1ccc(c(c1)C#Cc1ccccc1O[C@@](C#Cc1ccc(cc1)C)(C)[H])O[C@@](C#Cc1ccc(cc1)C)(C)[H]
SPLASH splash10-004l-0503900000-0b1e15ca8ae70d7af3bf
Source of Spectrum ACI-51-SMS8-6
Wiley ID 1780208