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(-)-Methyl 4-{[(1R)-1-methylprop-2-yn-1-yl]oxy}-3-[(2-{[(1R)-1-methylprop-2-yn-1-yl]oxy}phenyl)ethynyl]benzoate
SpectraBase Compound ID 6CpD646LFL9
InChI InChI=1S/C24H20O4/c1-6-17(3)27-22-11-9-8-10-19(22)12-13-20-16-21(24(25)26-5)14-15-23(20)28-18(4)7-2/h1-2,8-11,14-18H,3-5H3/t17-,18-/m1/s1
InChIKey NCZGSYUNGIJANZ-QZTJIDSGSA-N
Mol Weight 372.42 g/mol
Molecular Formula C24H20O4
Exact Mass 372.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7yXgvl4XYvW
Name (-)-Methyl 4-{[(1R)-1-methylprop-2-yn-1-yl]oxy}-3-[(2-{[(1R)-1-methylprop-2-yn-1-yl]oxy}phenyl)ethynyl]benzoate
Alternate Name(s) Methyl 4-(((R)-but-3-yn-2-yl)oxy)-3-((2-(((R)-but-3-yn-2-yl)oxy)phenyl)ethynyl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H20O4
InChI InChI=1S/C24H20O4/c1-6-17(3)27-22-11-9-8-10-19(22)12-13-20-16-21(24(25)26-5)14-15-23(20)28-18(4)7-2/h1-2,8-11,14-18H,3-5H3/t17-,18-/m1/s1
InChIKey NCZGSYUNGIJANZ-QZTJIDSGSA-N
Literature Reference DOI 10.1002/anie.201108307
Molecular Weight 372.420 g/mol
SMILES c1(C(=O)OC)ccc(c(C#Cc2ccccc2O[C@@](C#C)(C)[H])c1)O[C@@](C#C)(C)[H]
SPLASH splash10-0api-1559000000-7563101cdfd361094810
Source of Spectrum ACI-51-SMS23-48
Wiley ID 1780198