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3,5-Bis(4-tert-butylphenyl)-2-(4-methoxyphenyl)-4,6-di-p-tolylpyridine
SpectraBase Compound ID 6AnsFTjRvBd
InChI InChI=1S/C46H47NO/c1-30-10-14-32(15-11-30)40-41(33-18-24-37(25-19-33)45(3,4)5)43(35-16-12-31(2)13-17-35)47-44(36-22-28-39(48-9)29-23-36)42(40)34-20-26-38(27-21-34)46(6,7)8/h10-29H,1-9H3
InChIKey PMHCOKWHRUKISE-UHFFFAOYSA-N
Mol Weight 629.9 g/mol
Molecular Formula C46H47NO
Exact Mass 629.365765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 47CjyZkZoxm
Name 3,5-Bis(4-tert-butylphenyl)-2-(4-methoxyphenyl)-4,6-di-p-tolylpyridine
Appearance White solid
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Exact Mass 629.365765136 u
Formula C46H47NO
InChI InChI=1S/C46H47NO/c1-30-10-14-32(15-11-30)40-41(33-18-24-37(25-19-33)45(3,4)5)43(35-16-12-31(2)13-17-35)47-44(36-22-28-39(48-9)29-23-36)42(40)34-20-26-38(27-21-34)46(6,7)8/h10-29H,1-9H3
InChIKey PMHCOKWHRUKISE-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201701718
Molecular Weight 629.888 g/mol
Quality 294
Reported Formula C46H47NO
SMILES C1=C(C=CC(=C1)C=1C(=NC(=C(C1C1=CC=C(C=C1)C)C1=CC=C(C(C)(C)C)C=C1)C1=CC=C(C=C1)C)C1=CC=C(C=C1)OC)C(C)(C)C
SPLASH splash10-004l-6100009000-c72eed489e94b09afdbb
Source of Spectrum K1-2018-1001-11b (DOI: 10.1002/ejoc.201701718)
Wiley ID 1891807