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4-[2-(4-Methoxyphenyl)-5-phenyl-1H-pyrrol-3-yl]benzonitrile

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4-[2-(4-Methoxyphenyl)-5-phenyl-1H-pyrrol-3-yl]benzonitrile
SpectraBase Compound ID FPg6lJkt3cM
InChI InChI=1S/C24H18N2O/c1-27-21-13-11-20(12-14-21)24-22(18-9-7-17(16-25)8-10-18)15-23(26-24)19-5-3-2-4-6-19/h2-15,26H,1H3
InChIKey GKFRZSHFUNLLGR-UHFFFAOYSA-N
Mol Weight 350.42 g/mol
Molecular Formula C24H18N2O
Exact Mass 350.141913 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KlgYxp20L1h
Name 4-[2-(4-Methoxyphenyl)-5-phenyl-1H-pyrrol-3-yl]benzonitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 350.141913207 u
Formula C24H18N2O
InChI InChI=1S/C24H18N2O/c1-27-21-13-11-20(12-14-21)24-22(18-9-7-17(16-25)8-10-18)15-23(26-24)19-5-3-2-4-6-19/h2-15,26H,1H3
InChIKey GKFRZSHFUNLLGR-UHFFFAOYSA-N
Molecular Weight 350.421 g/mol
SMILES C(C=1C=CC(=CC1)C1=C(NC(=C1)C=1C=CC=CC1)C=1C=CC(=CC1)OC)#N