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3-(p-Chlorophenyl)-4-phenyl-alpha,alpha,alpha-trifluoro-2-pyrazoline-1-carboxy-p-toluidide

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3-(p-Chlorophenyl)-4-phenyl-alpha,alpha,alpha-trifluoro-2-pyrazoline-1-carboxy-p-toluidide
SpectraBase Compound ID Fw0FydbALhK
InChI InChI=1S/C23H17ClF3N3O/c24-18-10-6-16(7-11-18)21-20(15-4-2-1-3-5-15)14-30(29-21)22(31)28-19-12-8-17(9-13-19)23(25,26)27/h1-13,20H,14H2,(H,28,31)
InChIKey KNIUCGCTDBVDLG-UHFFFAOYSA-N
Mol Weight 443.86 g/mol
Molecular Formula C23H17ClF3N3O
Exact Mass 443.101224 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7nmKiVPlIqy
Name 3-(p-Chlorophenyl)-4-phenyl-alpha,alpha,alpha-trifluoro-2-pyrazoline-1-carboxy-p-toluidide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 443.101224367 u
Formula C23H17ClF3N3O
InChI InChI=1S/C23H17ClF3N3O/c24-18-10-6-16(7-11-18)21-20(15-4-2-1-3-5-15)14-30(29-21)22(31)28-19-12-8-17(9-13-19)23(25,26)27/h1-13,20H,14H2,(H,28,31)
InChIKey KNIUCGCTDBVDLG-UHFFFAOYSA-N
Molecular Weight 443.857 g/mol
SMILES N(C(N1CC(C(=N1)C=1C=CC(=CC1)Cl)C=1C=CC=CC1)=O)C1=CC=C(C=C1)C(F)(F)F