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3-Benzyl-5-(4-bromo-phenylcarbamoyl)-3H-imidazole-4-carboxylic acid

View entire compound with spectra: 1 NMR

3-Benzyl-5-(4-bromo-phenylcarbamoyl)-3H-imidazole-4-carboxylic acid
SpectraBase Compound ID 22qehjiVjTt
InChI InChI=1S/C18H14BrN3O3/c19-13-6-8-14(9-7-13)21-17(23)15-16(18(24)25)22(11-20-15)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,21,23)(H,24,25)
InChIKey FDTLCPPVXAEWNO-UHFFFAOYSA-N
Mol Weight 400.23 g/mol
Molecular Formula C18H14BrN3O3
Exact Mass 399.021854 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3gOMK8ezo5V
Name 3-Benzyl-5-(4-bromo-phenylcarbamoyl)-3H-imidazole-4-carboxylic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 399.021854320 u
Formula C18H14BrN3O3
InChI InChI=1S/C18H14BrN3O3/c19-13-6-8-14(9-7-13)21-17(23)15-16(18(24)25)22(11-20-15)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,21,23)(H,24,25)
InChIKey FDTLCPPVXAEWNO-UHFFFAOYSA-N
Molecular Weight 400.232 g/mol
SMILES C1(=C(N(CC2=CC=CC=C2)C=N1)C(=O)O)C(NC1=CC=C(C=C1)Br)=O