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(E)-3-(4-methylphenyl)-N-[4-[2-(4-methylphenyl)ethanoylamino]-3-(phenylcarbonyl)phenyl]prop-2-enamide
SpectraBase Compound ID 1rO2gNw7FIQ
InChI InChI=1S/C32H28N2O3/c1-22-8-12-24(13-9-22)16-19-30(35)33-27-17-18-29(28(21-27)32(37)26-6-4-3-5-7-26)34-31(36)20-25-14-10-23(2)11-15-25/h3-19,21H,20H2,1-2H3,(H,33,35)(H,34,36)/b19-16+
InChIKey RTDIGQGLSQAYLS-KNTRCKAVSA-N
Mol Weight 488.6 g/mol
Molecular Formula C32H28N2O3
Exact Mass 488.209993 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C5UkFIfG3ca
Name (E)-3-(4-Methylphenyl)-N-[4-[2-(4-methylphenyl)ethanoylamino]-3-(phenylcarbonyl)phenyl]prop-2-enamide
Comments Computed using HOSE algorithm
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Exact Mass 488.209992767 u
Formula C32H28N2O3
InChI InChI=1S/C32H28N2O3/c1-22-8-12-24(13-9-22)16-19-30(35)33-27-17-18-29(28(21-27)32(37)26-6-4-3-5-7-26)34-31(36)20-25-14-10-23(2)11-15-25/h3-19,21H,20H2,1-2H3,(H,33,35)(H,34,36)/b19-16+
InChIKey RTDIGQGLSQAYLS-KNTRCKAVSA-N
Molecular Weight 488.587 g/mol
SMILES C1=C(C(=CC(=C1)NC(\C=C\C1=CC=C(C=C1)C)=O)C(=O)C1=CC=CC=C1)NC(CC1=CC=C(C=C1)C)=O