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3,5,6,8-Tetra(phenacetylene)acetylene]phenanthroline
SpectraBase Compound ID LfBDQ0walKK
InChI InChI=1S/C44H24N2/c1-5-13-33(14-6-1)21-23-37-29-41-39(27-25-35-17-9-3-10-18-35)40(28-26-36-19-11-4-12-20-36)42-30-38(24-22-34-15-7-2-8-16-34)32-46-44(42)43(41)45-31-37/h1-20,29-32H
InChIKey CTONWYICLUXSOK-UHFFFAOYSA-N
Mol Weight 580.7 g/mol
Molecular Formula C44H24N2
Exact Mass 580.193949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2KWe86EdZy7
Name 3,5,6,8-Tetra(phenacetylene)acetylene]phenanthroline
Comments Less than 3 mono-isotopic peaks
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Formula C44H24N2
InChI InChI=1S/C44H24N2/c1-5-13-33(14-6-1)21-23-37-29-41-39(27-25-35-17-9-3-10-18-35)40(28-26-36-19-11-4-12-20-36)42-30-38(24-22-34-15-7-2-8-16-34)32-46-44(42)43(41)45-31-37/h1-20,29-32H
InChIKey CTONWYICLUXSOK-UHFFFAOYSA-N
Molecular Weight 580.690 g/mol
SMILES c1(c(C#Cc2ccccc2)c2cc(C#Cc3ccccc3)cnc2c2c1cc(C#Cc1ccccc1)cn2)C#Cc1ccccc1
SPLASH splash10-001i-0000190000-70c0f979f4d3806c2836
Source of Spectrum AU-689-3590-5
Wiley ID 1576036