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(5E)-3-anilino-5-(4-bromobenzylidene)-2-phenyl-2-imidazolin-4-one

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(5E)-3-anilino-5-(4-bromobenzylidene)-2-phenyl-2-imidazolin-4-one
SpectraBase Compound ID 7gzMmo12EE4
InChI InChI=1S/C22H16BrN3O/c23-18-13-11-16(12-14-18)15-20-22(27)26(25-19-9-5-2-6-10-19)21(24-20)17-7-3-1-4-8-17/h1-15,25H/b20-15+
InChIKey IYLUYSJGMSUOTB-HMMYKYKNSA-N
Mol Weight 418.29 g/mol
Molecular Formula C22H16BrN3O
Exact Mass 417.047675 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 58Xphxxa28
Name (5E)-3-Anilino-5-(4-bromobenzylidene)-2-phenyl-2-imidazolin-4-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 417.047675146 u
Formula C22H16BrN3O
InChI InChI=1S/C22H16BrN3O/c23-18-13-11-16(12-14-18)15-20-22(27)26(25-19-9-5-2-6-10-19)21(24-20)17-7-3-1-4-8-17/h1-15,25H/b20-15+
InChIKey IYLUYSJGMSUOTB-HMMYKYKNSA-N
Molecular Weight 418.294 g/mol
SMILES C=1C=CC(NN2C(=N\C(C2=O)=C/C=2C=CC(=CC2)Br)C=2C=CC=CC2)=CC1