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Ethanone, 2-[2,6-bis(4-methoxyphenyl)-3,5-dimethyl-4-pyridinyl]-1-phenyl-
SpectraBase Compound ID LRzRBqhxdcE
InChI InChI=1S/C29H27NO3/c1-19-26(18-27(31)21-8-6-5-7-9-21)20(2)29(23-12-16-25(33-4)17-13-23)30-28(19)22-10-14-24(32-3)15-11-22/h5-17H,18H2,1-4H3
InChIKey PKEXXONJNBMEMH-UHFFFAOYSA-N
Mol Weight 437.54 g/mol
Molecular Formula C29H27NO3
Exact Mass 437.199094 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DMZWvP0vbch
Name Ethanone, 2-[2,6-bis(4-methoxyphenyl)-3,5-dimethyl-4-pyridinyl]-1-phenyl-
Comments Computed using HOSE algorithm
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Exact Mass 437.199093730 u
Formula C29H27NO3
InChI InChI=1S/C29H27NO3/c1-19-26(18-27(31)21-8-6-5-7-9-21)20(2)29(23-12-16-25(33-4)17-13-23)30-28(19)22-10-14-24(32-3)15-11-22/h5-17H,18H2,1-4H3
InChIKey PKEXXONJNBMEMH-UHFFFAOYSA-N
Molecular Weight 437.539 g/mol
SMILES C1(=C(C(C=2C=CC(=CC2)OC)=NC(=C1C)C=1C=CC(=CC1)OC)C)CC(=O)C=1C=CC=CC1