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4-[2-(p-Chlorobenzoyl)ethyl]-1,2-diphenyl-3,5-pyrazolidinedione
SpectraBase Compound ID BjU0m5y8vUI
InChI InChI=1S/C24H19ClN2O3/c25-18-13-11-17(12-14-18)22(28)16-15-21-23(29)26(19-7-3-1-4-8-19)27(24(21)30)20-9-5-2-6-10-20/h1-14,21H,15-16H2
InChIKey AZNXLTZGEVCWAA-UHFFFAOYSA-N
Mol Weight 418.88 g/mol
Molecular Formula C24H19ClN2O3
Exact Mass 418.10842 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Byjm17EqrVr
Name 4-[2-(p-Chlorobenzoyl)ethyl]-1,2-diphenyl-3,5-pyrazolidinedione
Comments Computed using HOSE algorithm
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Exact Mass 418.108420177 u
Formula C24H19ClN2O3
InChI InChI=1S/C24H19ClN2O3/c25-18-13-11-17(12-14-18)22(28)16-15-21-23(29)26(19-7-3-1-4-8-19)27(24(21)30)20-9-5-2-6-10-20/h1-14,21H,15-16H2
InChIKey AZNXLTZGEVCWAA-UHFFFAOYSA-N
Molecular Weight 418.880 g/mol
SMILES C1=CC(=CC=C1)N1N(C(C(C1=O)CCC(C=1C=CC(=CC1)Cl)=O)=O)C=1C=CC=CC1