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1,8-Bis[4-((4-(diphenylamino)phenyl) ethynyl)phenyl]naphthalene
SpectraBase Compound ID KaAaqgeg0eL
InChI InChI=1S/C62H42N2/c1-5-17-54(18-6-1)63(55-19-7-2-8-20-55)58-43-35-49(36-44-58)29-27-47-31-39-51(40-32-47)60-25-13-15-53-16-14-26-61(62(53)60)52-41-33-48(34-42-52)28-30-50-37-45-59(46-38-50)64(56-21-9-3-10-22-56)57-23-11-4-12-24-57/h1-26,31-46H
InChIKey XBLOEDLUCCCRDM-UHFFFAOYSA-N
Mol Weight 815.0 g/mol
Molecular Formula C62H42N2
Exact Mass 814.334799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2LW9jJsJFt4
Name 1,8-Bis[4-((4-(diphenylamino)phenyl) ethynyl)phenyl]naphthalene
Comments Less than 3 mono-isotopic peaks
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Formula C62H42N2
InChI InChI=1S/C62H42N2/c1-5-17-54(18-6-1)63(55-19-7-2-8-20-55)58-43-35-49(36-44-58)29-27-47-31-39-51(40-32-47)60-25-13-15-53-16-14-26-61(62(53)60)52-41-33-48(34-42-52)28-30-50-37-45-59(46-38-50)64(56-21-9-3-10-22-56)57-23-11-4-12-24-57/h1-26,31-46H
InChIKey XBLOEDLUCCCRDM-UHFFFAOYSA-N
Molecular Weight 815.032 g/mol
SMILES c12c(-c3ccc(C#Cc4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)cccc1cccc2-c1ccc(C#Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
SPLASH splash10-03xr-0000100090-fa999a7ace3b64edb858
Source of Spectrum F-67-6809-3fe
Wiley ID 1687356