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N'-[4-(4-chlorophenyl)-1-phenyl-2-imidazolyl]-N-phenylbenzenecarboximidamide
SpectraBase Compound ID 20tx3SRVKXe
InChI InChI=1S/C28H21ClN4/c29-23-18-16-21(17-19-23)26-20-33(25-14-8-3-9-15-25)28(31-26)32-27(22-10-4-1-5-11-22)30-24-12-6-2-7-13-24/h1-20H,(H,30,31,32)
InChIKey USAMAYKVMNTRBV-UHFFFAOYSA-N
Mol Weight 448.96 g/mol
Molecular Formula C28H21ClN4
Exact Mass 448.145474 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Al4y1ifuw5n
Name N'-[4-(4-Chlorophenyl)-1-phenyl-2-imidazolyl]-N-phenylbenzenecarboximidamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 448.145474392 u
Formula C28H21ClN4
InChI InChI=1S/C28H21ClN4/c29-23-18-16-21(17-19-23)26-20-33(25-14-8-3-9-15-25)28(31-26)32-27(22-10-4-1-5-11-22)30-24-12-6-2-7-13-24/h1-20H,(H,30,31,32)
InChIKey USAMAYKVMNTRBV-UHFFFAOYSA-N
Molecular Weight 448.957 g/mol
SMILES C=1(\N=C/(NC=2C=CC=CC2)C=2C=CC=CC2)N(C=C(N1)C=1C=CC(=CC1)Cl)C=1C=CC=CC1