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2,3,5-Tris(4-tert-butylphenyl)-4-(4-cyanophenyl)-6-p-tolylpyridine
SpectraBase Compound ID FejLN1HqwI2
InChI InChI=1S/C49H50N2/c1-32-11-15-37(16-12-32)45-43(35-19-25-39(26-20-35)47(2,3)4)42(34-17-13-33(31-50)14-18-34)44(36-21-27-40(28-22-36)48(5,6)7)46(51-45)38-23-29-41(30-24-38)49(8,9)10/h11-30H,1-10H3
InChIKey SOVUWSSTEAMAHC-UHFFFAOYSA-N
Mol Weight 667.0 g/mol
Molecular Formula C49H50N2
Exact Mass 666.3974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EprKmwPlSVZ
Name 2,3,5-Tris(4-tert-butylphenyl)-4-(4-cyanophenyl)-6-p-tolylpyridine
Appearance White solid
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Formula C49H50N2
InChI InChI=1S/C49H50N2/c1-32-11-15-37(16-12-32)45-43(35-19-25-39(26-20-35)47(2,3)4)42(34-17-13-33(31-50)14-18-34)44(36-21-27-40(28-22-36)48(5,6)7)46(51-45)38-23-29-41(30-24-38)49(8,9)10/h11-30H,1-10H3
InChIKey SOVUWSSTEAMAHC-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201701718
Molecular Weight 666.953 g/mol
Quality 173
Reported Formula C49H50N2
SMILES C1=C(C=CC(=C1)C1=NC(=C(C(=C1C1=CC=C(C=C1)C(C)(C)C)C1=CC=C(C=C1)C#N)C1=CC=C(C=C1)C(C)(C)C)C1=CC=C(C=C1)C)C(C)(C)C
SPLASH splash10-014i-3001019000-cf14d18e0f3012944896
Source of Spectrum K1-2018-1002-12b (DOI: 10.1002/ejoc.201701718)
Wiley ID 1891809