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(-)-4-Bromo-1-{[(1R)-1-methylprop-2-yn-1-yl]oxy}-2-[(2-{[(1R)-1-methylprop-2-yn-1-yl]oxy}phenyl)ethynyl]benzene
SpectraBase Compound ID 4ct0Box1aid
InChI InChI=1S/C22H17BrO2/c1-5-16(3)24-21-10-8-7-9-18(21)11-12-19-15-20(23)13-14-22(19)25-17(4)6-2/h1-2,7-10,13-17H,3-4H3/t16-,17-/m1/s1
InChIKey JYVKJAKMSVTYCZ-IAGOWNOFSA-N
Mol Weight 393.28 g/mol
Molecular Formula C22H17BrO2
Exact Mass 392.041193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2omHHrOtOoz
Name (-)-4-Bromo-1-{[(1R)-1-methylprop-2-yn-1-yl]oxy}-2-[(2-{[(1R)-1-methylprop-2-yn-1-yl]oxy}phenyl)ethynyl]benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H17BrO2
InChI InChI=1S/C22H17BrO2/c1-5-16(3)24-21-10-8-7-9-18(21)11-12-19-15-20(23)13-14-22(19)25-17(4)6-2/h1-2,7-10,13-17H,3-4H3/t16-,17-/m1/s1
InChIKey JYVKJAKMSVTYCZ-IAGOWNOFSA-N
Literature Reference DOI 10.1002/anie.201108307
Molecular Weight 393.280 g/mol
SMILES c1(ccc(O[C@@](C#C)(C)[H])c(C#Cc2ccccc2O[C@@](C#C)(C)[H])c1)Br
SPLASH splash10-0ugi-4589000000-1ee0051e4bd02567be78
Source of Spectrum ACI-51-SMS20-43
Synonyms 4-Bromo-1-(((R)-but-3-yn-2-yl)oxy)-2-((2-(((R)-but-3-yn-2-yl)oxy)phenyl)ethynyl)benzene
Wiley ID 1780194