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1-(4-Methylphenyl)-2-[3-(4-methylphenyl)-4,5-diphenyl-1H-pyrrol-2-yl]ethane-1,2-dione
SpectraBase Compound ID Loeksm97jK7
InChI InChI=1S/C32H25NO2/c1-21-13-17-24(18-14-21)28-27(23-9-5-3-6-10-23)29(25-11-7-4-8-12-25)33-30(28)32(35)31(34)26-19-15-22(2)16-20-26/h3-20,33H,1-2H3
InChIKey REIIQPPRYTXYOW-UHFFFAOYSA-N
Mol Weight 455.6 g/mol
Molecular Formula C32H25NO2
Exact Mass 455.188529 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3dOrSYd8D57
Name 1-(4-Methylphenyl)-2-[3-(4-methylphenyl)-4,5-diphenyl-1H-pyrrol-2-yl]ethane-1,2-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 455.188529047 u
Formula C32H25NO2
InChI InChI=1S/C32H25NO2/c1-21-13-17-24(18-14-21)28-27(23-9-5-3-6-10-23)29(25-11-7-4-8-12-25)33-30(28)32(35)31(34)26-19-15-22(2)16-20-26/h3-20,33H,1-2H3
InChIKey REIIQPPRYTXYOW-UHFFFAOYSA-N
Molecular Weight 455.557 g/mol
SMILES C1(=C(C(C=2C=CC=CC2)=C(N1)C1=CC=CC=C1)C1=CC=C(C=C1)C)C(C(C=1C=CC(=CC1)C)=O)=O