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5-[3-(hexoxymethyl)-5-[2-(3-iodanylphenyl)ethynyl]phenyl]-2-[5-[3-(hexoxymethyl)-5-[2-(3-iodanylphenyl)ethynyl]phenyl]pyridin-2-yl]pyridine
SpectraBase Compound ID 4cqw58ZaJRk
InChI InChI=1S/C52H50I2N2O2/c1-3-5-7-9-25-57-37-43-27-41(19-17-39-13-11-15-49(53)33-39)29-47(31-43)45-21-23-51(55-35-45)52-24-22-46(36-56-52)48-30-42(20-18-40-14-12-16-50(54)34-40)28-44(32-48)38-58-26-10-8-6-4-2/h11-16,21-24,27-36H,3-10,25-26,37-38H2,1-2H3
InChIKey RXLZHIQBABYDRE-UHFFFAOYSA-N
Mol Weight 988.8 g/mol
Molecular Formula C52H50I2N2O2
Exact Mass 988.196169 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B6cPhmvSGQD
Name 5-[3-(hexoxymethyl)-5-[2-(3-iodanylphenyl)ethynyl]phenyl]-2-[5-[3-(hexoxymethyl)-5-[2-(3-iodanylphenyl)ethynyl]phenyl]pyridin-2-yl]pyridine
Alternate Name(s) 5-[3-(hexoxymethyl)-5-[2-(3-iodophenyl)ethynyl]phenyl]-2-[5-[3-(hexoxymethyl)-5-[2-(3-iodophenyl)ethynyl]phenyl]-2-pyridinyl]pyridine 5-[3-(hexoxymethyl)-5-[2-(3-iodophenyl)ethynyl]phenyl]-2-[5-[3-(hexoxymethyl)-5-[2-(3-iodophenyl)ethynyl]phenyl]-2-pyridyl]pyridine 5-[3-(hexoxymethyl)-5-[2-(3-iodophenyl)ethynyl]phenyl]-2-[5-[3-(hexoxymethyl)-5-[2-(3-iodophenyl)ethynyl]phenyl]pyridin-2-yl]pyridine
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Formula C52H50I2N2O2
InChI InChI=1S/C52H50I2N2O2/c1-3-5-7-9-25-57-37-43-27-41(19-17-39-13-11-15-49(53)33-39)29-47(31-43)45-21-23-51(55-35-45)52-24-22-46(36-56-52)48-30-42(20-18-40-14-12-16-50(54)34-40)28-44(32-48)38-58-26-10-8-6-4-2/h11-16,21-24,27-36H,3-10,25-26,37-38H2,1-2H3
InChIKey RXLZHIQBABYDRE-UHFFFAOYSA-N
Molecular Weight 988.793 g/mol
SMILES C(#Cc1cc(I)ccc1)c1cc(-c2cnc(-c3ncc(-c4cc(C#Cc5cc(I)ccc5)cc(c4)COCCCCCC)cc3)cc2)cc(c1)COCCCCCC
SPLASH splash10-000i-2200000179-1a983217778d0243da66
Source of Spectrum H-2005-832-18
Wiley ID 1562392