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[5-(2-Benzoyl-4-chloro-phenylcarbamoyl)-1H-imidazol-4-yl]-carbamic acid, methyl ester

View entire compound with spectra: 1 NMR

[5-(2-Benzoyl-4-chloro-phenylcarbamoyl)-1H-imidazol-4-yl]-carbamic acid, methyl ester
SpectraBase Compound ID LRcnr9AF9eN
InChI InChI=1S/C19H15ClN4O4/c1-28-19(27)24-17-15(21-10-22-17)18(26)23-14-8-7-12(20)9-13(14)16(25)11-5-3-2-4-6-11/h2-10H,1H3,(H,21,22)(H,23,26)(H,24,27)
InChIKey CFMAXTYFLPWOSI-UHFFFAOYSA-N
Mol Weight 398.81 g/mol
Molecular Formula C19H15ClN4O4
Exact Mass 398.078183 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2VwML1bjhhb
Name [5-(2-Benzoyl-4-chloro-phenylcarbamoyl)-1H-imidazol-4-yl]-carbamic acid, methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 398.078182675 u
Formula C19H15ClN4O4
InChI InChI=1S/C19H15ClN4O4/c1-28-19(27)24-17-15(21-10-22-17)18(26)23-14-8-7-12(20)9-13(14)16(25)11-5-3-2-4-6-11/h2-10H,1H3,(H,21,22)(H,23,26)(H,24,27)
InChIKey CFMAXTYFLPWOSI-UHFFFAOYSA-N
Molecular Weight 398.806 g/mol
SMILES C1(=C(C(NC2=C(C(=O)C3=CC=CC=C3)C=C(Cl)C=C2)=O)NC=N1)NC(=O)OC