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4-(4-Methoxyphenyl)-2,3,5,6-tetrakis(phenylethynyl)pyridine

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4-(4-Methoxyphenyl)-2,3,5,6-tetrakis(phenylethynyl)pyridine
SpectraBase Compound ID BcN5nGoG5bZ
InChI InChI=1S/C44H27NO/c1-46-39-28-26-38(27-29-39)44-40(30-22-34-14-6-2-7-15-34)42(32-24-36-18-10-4-11-19-36)45-43(33-25-37-20-12-5-13-21-37)41(44)31-23-35-16-8-3-9-17-35/h2-21,26-29H,1H3
InChIKey BJGHTXABSPAJKE-UHFFFAOYSA-N
Mol Weight 585.7 g/mol
Molecular Formula C44H27NO
Exact Mass 585.209264 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Em0rBo2d4oK
Name 4-(4-Methoxyphenyl)-2,3,5,6-tetrakis(phenylethynyl)pyridine
Comments Computed using HOSE algorithm
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Exact Mass 585.209264492 u
Formula C44H27NO
InChI InChI=1S/C44H27NO/c1-46-39-28-26-38(27-29-39)44-40(30-22-34-14-6-2-7-15-34)42(32-24-36-18-10-4-11-19-36)45-43(33-25-37-20-12-5-13-21-37)41(44)31-23-35-16-8-3-9-17-35/h2-21,26-29H,1H3
InChIKey BJGHTXABSPAJKE-UHFFFAOYSA-N
Molecular Weight 585.706 g/mol
SMILES C=1(C#CC2=CC=CC=C2)C(=C(C#CC2=CC=CC=C2)C(C#CC=2C=CC=CC2)=NC1C#CC1=CC=CC=C1)C1=CC=C(C=C1)OC