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

View entire compound with spectra: 1 MS (GC)

(-)-Methyl 4-{[(1R)-1-methyl-3-(4-methylphenyl)prop-2-yn-1-yl]oxy}-3-[(2-{[(1R)-1-methyl-3-(4-methylphenyl)prop-2-yn-1-yl]oxy}phenyl)ethynyl]benzoate
SpectraBase Compound ID J2xijuTGDJh
InChI InChI=1S/C38H32O4/c1-27-10-16-31(17-11-27)20-14-29(3)41-36-9-7-6-8-33(36)22-23-34-26-35(38(39)40-5)24-25-37(34)42-30(4)15-21-32-18-12-28(2)13-19-32/h6-13,16-19,24-26,29-30H,1-5H3/t29-,30-/m1/s1
InChIKey CXRHUKKUVWDDJE-LOYHVIPDSA-N
Mol Weight 552.7 g/mol
Molecular Formula C38H32O4
Exact Mass 552.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AxKAs9R1hEE
Name (-)-Methyl 4-{[(1R)-1-methyl-3-(4-methylphenyl)prop-2-yn-1-yl]oxy}-3-[(2-{[(1R)-1-methyl-3-(4-methylphenyl)prop-2-yn-1-yl]oxy}phenyl)ethynyl]benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H32O4
InChI InChI=1S/C38H32O4/c1-27-10-16-31(17-11-27)20-14-29(3)41-36-9-7-6-8-33(36)22-23-34-26-35(38(39)40-5)24-25-37(34)42-30(4)15-21-32-18-12-28(2)13-19-32/h6-13,16-19,24-26,29-30H,1-5H3/t29-,30-/m1/s1
InChIKey CXRHUKKUVWDDJE-LOYHVIPDSA-N
Literature Reference DOI 10.1002/anie.201108307
Molecular Weight 552.670 g/mol
SMILES c1(ccc(O[C@@](C#Cc2ccc(cc2)C)(C)[H])c(c1)C#Cc1ccccc1O[C@@](C#Cc1ccc(cc1)C)(C)[H])C(=O)OC
SPLASH splash10-0f79-0023190000-fb5a8dbc88cc229b15d7
Source of Spectrum ACI-51-SMS24-10
Synonyms Methyl 4-(((R)-4-(p-tolyl)but-3-yn-2-yl)oxy)-3-((2-(((R)-4-(p-tolyl)but-3-yn-2-yl)oxy)phenyl)ethynyl)benzoate
Wiley ID 1780168