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(-)-1-Methoxy-3-{[(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

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(-)-1-Methoxy-3-{[(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 FcbsROy4bsN
InChI InChI=1S/C37H32O3/c1-27-13-19-31(20-14-27)23-17-29(3)39-35-10-7-6-9-33(35)25-26-34-36(38-5)11-8-12-37(34)40-30(4)18-24-32-21-15-28(2)16-22-32/h6-16,19-22,29-30H,1-5H3/t29-,30-/m1/s1
InChIKey BOFVDVALPZCICE-LOYHVIPDSA-N
Mol Weight 524.7 g/mol
Molecular Formula C37H32O3
Exact Mass 524.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FFurTa88Dja
Name (-)-1-Methoxy-3-{[(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 C37H32O3
InChI InChI=1S/C37H32O3/c1-27-13-19-31(20-14-27)23-17-29(3)39-35-10-7-6-9-33(35)25-26-34-36(38-5)11-8-12-37(34)40-30(4)18-24-32-21-15-28(2)16-22-32/h6-16,19-22,29-30H,1-5H3/t29-,30-/m1/s1
InChIKey BOFVDVALPZCICE-LOYHVIPDSA-N
Literature Reference DOI 10.1002/anie.201108307
Molecular Weight 524.660 g/mol
SMILES c1ccc(O[C@](C)(C#Cc2ccc(cc2)C)[H])c(c1OC)C#Cc1ccccc1O[C@@](C#Cc1ccc(cc1)C)(C)[H]
SPLASH splash10-016u-1925040000-d46b172cc033404ad903
Source of Spectrum ACI-51-SMS12-7
Synonyms 1-Methoxy-3-(((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 1780209