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2,3,5-Tris(4-methoxyphenyl)-4-(4-cyanophenyl)-6-p-tolylpyridine
SpectraBase Compound ID HI1c518Zwz6
InChI InChI=1S/C40H32N2O3/c1-26-5-9-31(10-6-26)39-37(29-13-19-33(43-2)20-14-29)36(28-11-7-27(25-41)8-12-28)38(30-15-21-34(44-3)22-16-30)40(42-39)32-17-23-35(45-4)24-18-32/h5-24H,1-4H3
InChIKey HTDXVFMQCUCHQM-UHFFFAOYSA-N
Mol Weight 588.7 g/mol
Molecular Formula C40H32N2O3
Exact Mass 588.241293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3nXT6QlkSn
Name 2,3,5-Tris(4-methoxyphenyl)-4-(4-cyanophenyl)-6-p-tolylpyridine
Appearance White solid
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Exact Mass 588.241292895 u
Formula C40H32N2O3
InChI InChI=1S/C40H32N2O3/c1-26-5-9-31(10-6-26)39-37(29-13-19-33(43-2)20-14-29)36(28-11-7-27(25-41)8-12-28)38(30-15-21-34(44-3)22-16-30)40(42-39)32-17-23-35(45-4)24-18-32/h5-24H,1-4H3
InChIKey HTDXVFMQCUCHQM-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201701718
Molecular Weight 588.707 g/mol
Quality 147
Reported Formula C40H32N2O3
SMILES COC1=CC=C(C=C1)C1=NC(=C(C(=C1C1=CC=C(OC)C=C1)C1=CC=C(C=C1)C#N)C1=CC=C(OC)C=C1)C1=CC=C(C=C1)C
SPLASH splash10-000i-0030090000-14cc6cba01a437291e60
Source of Spectrum K1-2018-1002-12a (DOI: 10.1002/ejoc.201701718)
Wiley ID 1891808