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4,4-bis(2-Benzoylethyl)-1,2-diphenyl-3,5-pyrazolidinedione

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4,4-bis(2-Benzoylethyl)-1,2-diphenyl-3,5-pyrazolidinedione
SpectraBase Compound ID 6hx5FiPPD6R
InChI InChI=1S/C33H28N2O4/c36-29(25-13-5-1-6-14-25)21-23-33(24-22-30(37)26-15-7-2-8-16-26)31(38)34(27-17-9-3-10-18-27)35(32(33)39)28-19-11-4-12-20-28/h1-20H,21-24H2
InChIKey SURSBEKBQKZGHE-UHFFFAOYSA-N
Mol Weight 516.6 g/mol
Molecular Formula C33H28N2O4
Exact Mass 516.204907 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LVSRO8HUutQ
Name 4,4-bis(2-Benzoylethyl)-1,2-diphenyl-3,5-pyrazolidinedione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 516.204907386 u
Formula C33H28N2O4
InChI InChI=1S/C33H28N2O4/c36-29(25-13-5-1-6-14-25)21-23-33(24-22-30(37)26-15-7-2-8-16-26)31(38)34(27-17-9-3-10-18-27)35(32(33)39)28-19-11-4-12-20-28/h1-20H,21-24H2
InChIKey SURSBEKBQKZGHE-UHFFFAOYSA-N
Molecular Weight 516.597 g/mol
SMILES C=1C(=CC=CC1)N1C(C(C(N1C=1C=CC=CC1)=O)(CCC(C=1C=CC=CC1)=O)CCC(=O)C=1C=CC=CC1)=O