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(-)-4-Bromo-1-{[(1R)-1-methyl-3-(4-methylphenyl)prop-2-yn-1-yl]oxy}-2-[(2-{[(1R)-1-methyl-3-(4-methylphenyl)prop-2-yn-1-yl]oxy}phenyl)ethynyl]benzene

View entire compound with spectra: 1 MS (GC)

(-)-4-Bromo-1-{[(1R)-1-methyl-3-(4-methylphenyl)prop-2-yn-1-yl]oxy}-2-[(2-{[(1R)-1-methyl-3-(4-methylphenyl)prop-2-yn-1-yl]oxy}phenyl)ethynyl]benzene
SpectraBase Compound ID Iv0vpr0OaXC
InChI InChI=1S/C36H29BrO2/c1-26-9-15-30(16-10-26)19-13-28(3)38-35-8-6-5-7-32(35)21-22-33-25-34(37)23-24-36(33)39-29(4)14-20-31-17-11-27(2)12-18-31/h5-12,15-18,23-25,28-29H,1-4H3/t28-,29-/m1/s1
InChIKey FKCDDAVGWKIUKB-FQLXRVMXSA-N
Mol Weight 573.5 g/mol
Molecular Formula C36H29BrO2
Exact Mass 572.135093 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HdRcEzXkPra
Name (-)-4-Bromo-1-{[(1R)-1-methyl-3-(4-methylphenyl)prop-2-yn-1-yl]oxy}-2-[(2-{[(1R)-1-methyl-3-(4-methylphenyl)prop-2-yn-1-yl]oxy}phenyl)ethynyl]benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H29BrO2
InChI InChI=1S/C36H29BrO2/c1-26-9-15-30(16-10-26)19-13-28(3)38-35-8-6-5-7-32(35)21-22-33-25-34(37)23-24-36(33)39-29(4)14-20-31-17-11-27(2)12-18-31/h5-12,15-18,23-25,28-29H,1-4H3/t28-,29-/m1/s1
InChIKey FKCDDAVGWKIUKB-FQLXRVMXSA-N
Literature Reference DOI 10.1002/anie.201108307
Molecular Weight 573.530 g/mol
SMILES c1(Br)ccc(O[C@](C)(C#Cc2ccc(cc2)C)[H])c(c1)C#Cc1ccccc1O[C@@](C#Cc1ccc(cc1)C)(C)[H]
SPLASH splash10-0aou-0710590000-9c0d5164948972aabfe5
Source of Spectrum ACI-51-SMS20-9
Synonyms 4-Bromo-1-(((R)-4-(p-tolyl)but-3-yn-2-yl)oxy)-2-((2-(((R)-4-(p-tolyl)but-3-yn-2-yl)oxy)phenyl)ethynyl)benzene
Wiley ID 1780210