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3-(Ethoxycarbonyl)-1,2-dihydro-2,2-dimethyl-1,4,6-triphenylpyridine
SpectraBase Compound ID 7AwXAk8lmBu
InChI InChI=1S/C28H27NO2/c1-4-31-27(30)26-24(21-14-8-5-9-15-21)20-25(22-16-10-6-11-17-22)29(28(26,2)3)23-18-12-7-13-19-23/h5-20H,4H2,1-3H3
InChIKey ADPJHMZZKRQSMU-UHFFFAOYSA-N
Mol Weight 409.53 g/mol
Molecular Formula C28H27NO2
Exact Mass 409.204179 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IwNJNWyxLTA
Name 3-(Ethoxycarbonyl)-1,2-dihydro-2,2-dimethyl-1,4,6-triphenylpyridine
Comments Computed using HOSE algorithm
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Exact Mass 409.204179111 u
Formula C28H27NO2
InChI InChI=1S/C28H27NO2/c1-4-31-27(30)26-24(21-14-8-5-9-15-21)20-25(22-16-10-6-11-17-22)29(28(26,2)3)23-18-12-7-13-19-23/h5-20H,4H2,1-3H3
InChIKey ADPJHMZZKRQSMU-UHFFFAOYSA-N
Molecular Weight 409.529 g/mol
SMILES C1(=C(C=C(N(C1(C)C)C1=CC=CC=C1)C1=CC=CC=C1)C=1C=CC=CC1)C(=O)OCC