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2-[4-chloro-3,5-bis(4-chlorophenyl)-1H-pyrazol-1-yl]-N-phenylacetamide

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2-[4-chloro-3,5-bis(4-chlorophenyl)-1H-pyrazol-1-yl]-N-phenylacetamide
SpectraBase Compound ID 1FfyoHAzfZP
InChI InChI=1S/C23H16Cl3N3O/c24-17-10-6-15(7-11-17)22-21(26)23(16-8-12-18(25)13-9-16)29(28-22)14-20(30)27-19-4-2-1-3-5-19/h1-13H,14H2,(H,27,30)
InChIKey AUQUSQDABPUVHG-UHFFFAOYSA-N
Mol Weight 456.76 g/mol
Molecular Formula C23H16Cl3N3O
Exact Mass 455.035895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JcWnPyOTsNh
Name 2-[4-Chloro-3,5-bis(4-chlorophenyl)-1H-pyrazol-1-yl]-N-phenylacetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 455.035895246 u
Formula C23H16Cl3N3O
InChI InChI=1S/C23H16Cl3N3O/c24-17-10-6-15(7-11-17)22-21(26)23(16-8-12-18(25)13-9-16)29(28-22)14-20(30)27-19-4-2-1-3-5-19/h1-13H,14H2,(H,27,30)
InChIKey AUQUSQDABPUVHG-UHFFFAOYSA-N
Molecular Weight 456.760 g/mol
SMILES N(C(=O)CN1C(=C(Cl)C(=N1)C=1C=CC(=CC1)Cl)C=1C=CC(=CC1)Cl)C=1C=CC=CC1