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4,6-Bis[4-((4-(diphenylamino)phenyl) ethynyl)phenyl]dibenzo[b,d]furan
SpectraBase Compound ID DLai4hHbTfd
InChI InChI=1S/C64H42N2O/c1-5-15-53(16-6-1)65(54-17-7-2-8-18-54)57-43-35-49(36-44-57)29-27-47-31-39-51(40-32-47)59-23-13-25-61-62-26-14-24-60(64(62)67-63(59)61)52-41-33-48(34-42-52)28-30-50-37-45-58(46-38-50)66(55-19-9-3-10-20-55)56-21-11-4-12-22-56/h1-26,31-46H
InChIKey IOEHASZDODKWIH-UHFFFAOYSA-N
Mol Weight 855.1 g/mol
Molecular Formula C64H42N2O
Exact Mass 854.329714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzYZA9XrAy8
Name 4,6-Bis[4-((4-(diphenylamino)phenyl) ethynyl)phenyl]dibenzo[b,d]furan
Comments Less than 3 mono-isotopic peaks
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Formula C64H42N2O
InChI InChI=1S/C64H42N2O/c1-5-15-53(16-6-1)65(54-17-7-2-8-18-54)57-43-35-49(36-44-57)29-27-47-31-39-51(40-32-47)59-23-13-25-61-62-26-14-24-60(64(62)67-63(59)61)52-41-33-48(34-42-52)28-30-50-37-45-58(46-38-50)66(55-19-9-3-10-20-55)56-21-11-4-12-22-56/h1-26,31-46H
InChIKey IOEHASZDODKWIH-UHFFFAOYSA-N
Molecular Weight 855.053 g/mol
SMILES c12oc3c(-c4ccc(C#Cc5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)cccc3c1cccc2-c1ccc(C#Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
SPLASH splash10-0zfr-0000100090-e70b94fe212e7a839755
Source of Spectrum F-67-6810-3fg
Wiley ID 1687355