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1,5-Diiodo-2,4-bis{[3-(4-methylphenyl)prop-2-yn-1-yl]oxy}benzene
SpectraBase Compound ID 9gfVxxW5arL
InChI InChI=1S/C26H20I2O2/c1-19-7-11-21(12-8-19)5-3-15-29-25-18-26(24(28)17-23(25)27)30-16-4-6-22-13-9-20(2)10-14-22/h7-14,17-18H,15-16H2,1-2H3
InChIKey GXHOGVNNGOJCGU-UHFFFAOYSA-N
Mol Weight 618.25 g/mol
Molecular Formula C26H20I2O2
Exact Mass 617.95527 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4BGIqjMLFn9
Name 1,5-Diiodo-2,4-bis{[3-(4-methylphenyl)prop-2-yn-1-yl]oxy}benzene
Appearance Pale yellow solid
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Formula C26H20I2O2
InChI InChI=1S/C26H20I2O2/c1-19-7-11-21(12-8-19)5-3-15-29-25-18-26(24(28)17-23(25)27)30-16-4-6-22-13-9-20(2)10-14-22/h7-14,17-18H,15-16H2,1-2H3
InChIKey GXHOGVNNGOJCGU-UHFFFAOYSA-N
Ionization Type EI Positive ion
Literature Reference DOI 10.1002/anie.201700341
Molecular Weight 618.253 g/mol
Quality 80
Reported Formula C26H20O2I2
SMILES C=1(I)C(=CC(=C(C1)I)OCC#CC1=CC=C(C=C1)C)OCC#CC1=CC=C(C)C=C1
SPLASH splash10-004i-0900100000-bf2f666f62c83af9a5df
Source of Spectrum ACI-56-SM5-4 (DOI: 10.1002/anie.201700341)
Wiley ID 1895858